Secondary metabolite:Oxalic acid, allyl undecyl ester

• Summary
• Physicochemical properties
• Drug-likeness properties
• ADME properties
• Descriptors

Chemical descriptors

Tool	Descriptor	Description	Descriptor class	Type	Result
PaDEL	nAcid	Number of acidic groups. The list of acidic groups is defined by these SMARTS $([O;H1]-[C,S,P]=O), $([*;-;!$(*~[*;+])]), $([NH](S(=O)=O)C(F)(F)F), and $(n1nnnc1) originally presented in JOELib	Acidic Group Count descriptor	2D	0
PaDEL	ALogP	Ghose-Crippen LogKow	ALOGP descriptor	2D	-1.992
PaDEL	ALogp2	Square of AlogP	ALOGP descriptor	2D	3.969
PaDEL	AMR	Molar refractivity	ALOGP descriptor	2D	64.258
PaDEL	apol	Sum of the atomic polarizabilities (including implicit hydrogens)	APol descriptor	2D	50.038
PaDEL	naAromAtom	Number of aromatic atoms	Aromatic Atoms Count descriptor	2D	0
PaDEL	nAromBond	Number of aromatic bonds	Aromatic Bonds Count descriptor	2D	0
PaDEL	nAtom	Number of atoms	Atom Count descriptor	2D	48
PaDEL	nHeavyAtom	Number of heavy atoms (i.e. not hydrogen)	Atom Count descriptor	2D	20
PaDEL	nH	Number of hydrogen atoms	Atom Count descriptor	2D	28
PaDEL	nB	Number of boron atoms	Atom Count descriptor	2D	0
PaDEL	nC	Number of carbon atoms	Atom Count descriptor	2D	16
PaDEL	nN	Number of nitrogen atoms	Atom Count descriptor	2D	0
PaDEL	nO	Number of oxygen atoms	Atom Count descriptor	2D	4
PaDEL	nS	Number of sulphur atoms	Atom Count descriptor	2D	0
PaDEL	nP	Number of phosphorus atoms	Atom Count descriptor	2D	0
PaDEL	nF	Number of Fluorine Atoms	Constitutional descriptor	1D	0
PaDEL	nCl	Number of chlorine atoms	Atom Count descriptor	2D	0
PaDEL	nBr	Number of bromine atoms	Atom Count descriptor	2D	0
PaDEL	nI	Number of iodine atoms	Atom Count descriptor	2D	0
PaDEL	nX	Number of halogen atoms (F, Cl, Br, I, At, Uus)	Atom Count descriptor	2D	0
PaDEL	ATS0m	Broto-Moreau autocorrelation - lag 0 / weighted by mass	Auto correlation descriptor	2D	3360.548
PaDEL	ATS1m	Broto-Moreau autocorrelation - lag 1 / weighted by mass	Auto correlation descriptor	2D	3367.416
PaDEL	ATS2m	Broto-Moreau autocorrelation - lag 2 / weighted by mass	Auto correlation descriptor	2D	4044.871
PaDEL	ATS3m	Broto-Moreau autocorrelation - lag 3 / weighted by mass	Auto correlation descriptor	2D	4163.636
PaDEL	ATS4m	Broto-Moreau autocorrelation - lag 4 / weighted by mass	Auto correlation descriptor	2D	3588.027
PaDEL	ATS5m	Broto-Moreau autocorrelation - lag 5 / weighted by mass	Auto correlation descriptor	2D	3467.841
PaDEL	ATS6m	Broto-Moreau autocorrelation - lag 6 / weighted by mass	Auto correlation descriptor	2D	3099.115
PaDEL	ATS7m	Broto-Moreau autocorrelation - lag 7 / weighted by mass	Auto correlation descriptor	2D	2678.466
PaDEL	ATS8m	Broto-Moreau autocorrelation - lag 8 / weighted by mass	Auto correlation descriptor	2D	2467.661
PaDEL	ATS0v	Broto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumes	Auto correlation descriptor	2D	8512.178
PaDEL	ATS1v	Broto-Moreau autocorrelation - lag 1 / weighted by van der Waals volumes	Auto correlation descriptor	2D	10534.722
PaDEL	ATS2v	Broto-Moreau autocorrelation - lag 2 / weighted by van der Waals volumes	Auto correlation descriptor	2D	13518.293
PaDEL	ATS3v	Broto-Moreau autocorrelation - lag 3 / weighted by van der Waals volumes	Auto correlation descriptor	2D	13997.725
PaDEL	ATS4v	Broto-Moreau autocorrelation - lag 4 / weighted by van der Waals volumes	Auto correlation descriptor	2D	13328.883
PaDEL	ATS5v	Broto-Moreau autocorrelation - lag 5 / weighted by van der Waals volumes	Auto correlation descriptor	2D	12607.818
PaDEL	ATS6v	Broto-Moreau autocorrelation - lag 6 / weighted by van der Waals volumes	Auto correlation descriptor	2D	11560.487
PaDEL	ATS7v	Broto-Moreau autocorrelation - lag 7 / weighted by van der Waals volumes	Auto correlation descriptor	2D	10610.818
PaDEL	ATS8v	Broto-Moreau autocorrelation - lag 8 / weighted by van der Waals volumes	Auto correlation descriptor	2D	9797.079
PaDEL	ATS0e	Broto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	362.172
PaDEL	ATS1e	Broto-Moreau autocorrelation - lag 1 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	357.524
PaDEL	ATS2e	Broto-Moreau autocorrelation - lag 2 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	650.583
PaDEL	ATS3e	Broto-Moreau autocorrelation - lag 3 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	841.785
PaDEL	ATS4e	Broto-Moreau autocorrelation - lag 4 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	795.833
PaDEL	ATS5e	Broto-Moreau autocorrelation - lag 5 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	753.43
PaDEL	ATS6e	Broto-Moreau autocorrelation - lag 6 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	692.393
PaDEL	ATS7e	Broto-Moreau autocorrelation - lag 7 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	650.972
PaDEL	ATS8e	Broto-Moreau autocorrelation - lag 8 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	592.11
PaDEL	ATS0p	Broto-Moreau autocorrelation - lag 0 / weighted by polarizabilities	Auto correlation descriptor	2D	59.644
PaDEL	ATS1p	Broto-Moreau autocorrelation - lag 1 / weighted by polarizabilities	Auto correlation descriptor	2D	75.471
PaDEL	ATS2p	Broto-Moreau autocorrelation - lag 2 / weighted by polarizabilities	Auto correlation descriptor	2D	103.934
PaDEL	ATS3p	Broto-Moreau autocorrelation - lag 3 / weighted by polarizabilities	Auto correlation descriptor	2D	113.563
PaDEL	ATS4p	Broto-Moreau autocorrelation - lag 4 / weighted by polarizabilities	Auto correlation descriptor	2D	107.547
PaDEL	ATS5p	Broto-Moreau autocorrelation - lag 5 / weighted by polarizabilities	Auto correlation descriptor	2D	99.421
PaDEL	ATS6p	Broto-Moreau autocorrelation - lag 6 / weighted by polarizabilities	Auto correlation descriptor	2D	91.866
PaDEL	ATS7p	Broto-Moreau autocorrelation - lag 7 / weighted by polarizabilities	Auto correlation descriptor	2D	85.846
PaDEL	ATS8p	Broto-Moreau autocorrelation - lag 8 / weighted by polarizabilities	Auto correlation descriptor	2D	80.029
PaDEL	ATS0i	Broto-Moreau autocorrelation - lag 0 / weighted by first ionization potential	Auto correlation descriptor	2D	7948.209
PaDEL	ATS1i	Broto-Moreau autocorrelation - lag 1 / weighted by first ionization potential	Auto correlation descriptor	2D	6855.818
PaDEL	ATS2i	Broto-Moreau autocorrelation - lag 2 / weighted by first ionization potential	Auto correlation descriptor	2D	13523.756
PaDEL	ATS3i	Broto-Moreau autocorrelation - lag 3 / weighted by first ionization potential	Auto correlation descriptor	2D	18828.99
PaDEL	ATS4i	Broto-Moreau autocorrelation - lag 4 / weighted by first ionization potential	Auto correlation descriptor	2D	17841.059
PaDEL	ATS5i	Broto-Moreau autocorrelation - lag 5 / weighted by first ionization potential	Auto correlation descriptor	2D	16548.354
PaDEL	ATS6i	Broto-Moreau autocorrelation - lag 6 / weighted by first ionization potential	Auto correlation descriptor	2D	15190.239
PaDEL	ATS7i	Broto-Moreau autocorrelation - lag 7 / weighted by first ionization potential	Auto correlation descriptor	2D	14424.185
PaDEL	ATS8i	Broto-Moreau autocorrelation - lag 8 / weighted by first ionization potential	Auto correlation descriptor	2D	13186.818
PaDEL	ATS0s	Broto-Moreau autocorrelation - lag 0 / weighted by I-state	Auto correlation descriptor	2D	197.806
PaDEL	ATS1s	Broto-Moreau autocorrelation - lag 1 / weighted by I-state	Auto correlation descriptor	2D	127.528
PaDEL	ATS2s	Broto-Moreau autocorrelation - lag 2 / weighted by I-state	Auto correlation descriptor	2D	230.75
PaDEL	ATS3s	Broto-Moreau autocorrelation - lag 3 / weighted by I-state	Auto correlation descriptor	2D	305.25
PaDEL	ATS4s	Broto-Moreau autocorrelation - lag 4 / weighted by I-state	Auto correlation descriptor	2D	237.25
PaDEL	ATS5s	Broto-Moreau autocorrelation - lag 5 / weighted by I-state	Auto correlation descriptor	2D	260.167
PaDEL	ATS6s	Broto-Moreau autocorrelation - lag 6 / weighted by I-state	Auto correlation descriptor	2D	236.25
PaDEL	ATS7s	Broto-Moreau autocorrelation - lag 7 / weighted by I-state	Auto correlation descriptor	2D	199.667
PaDEL	ATS8s	Broto-Moreau autocorrelation - lag 8 / weighted by I-state	Auto correlation descriptor	2D	177.417
PaDEL	AATS0m	Average Broto-Moreau autocorrelation - lag 0 / weighted by mass	Auto correlation descriptor	2D	70.011
PaDEL	AATS1m	Average Broto-Moreau autocorrelation - lag 1 / weighted by mass	Auto correlation descriptor	2D	71.647
PaDEL	AATS2m	Average Broto-Moreau autocorrelation - lag 2 / weighted by mass	Auto correlation descriptor	2D	47.033
PaDEL	AATS3m	Average Broto-Moreau autocorrelation - lag 3 / weighted by mass	Auto correlation descriptor	2D	36.523
PaDEL	AATS4m	Average Broto-Moreau autocorrelation - lag 4 / weighted by mass	Auto correlation descriptor	2D	33.222
PaDEL	AATS5m	Average Broto-Moreau autocorrelation - lag 5 / weighted by mass	Auto correlation descriptor	2D	34.678
PaDEL	AATS6m	Average Broto-Moreau autocorrelation - lag 6 / weighted by mass	Auto correlation descriptor	2D	33.686
PaDEL	AATS7m	Average Broto-Moreau autocorrelation - lag 7 / weighted by mass	Auto correlation descriptor	2D	30.787
PaDEL	AATS8m	Average Broto-Moreau autocorrelation - lag 8 / weighted by mass	Auto correlation descriptor	2D	30.846
PaDEL	AATS0v	Average Broto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumes	Auto correlation descriptor	2D	177.337
PaDEL	AATS1v	Average Broto-Moreau autocorrelation - lag 1 / weighted by van der Waals volumes	Auto correlation descriptor	2D	224.143
PaDEL	AATS2v	Average Broto-Moreau autocorrelation - lag 2 / weighted by van der Waals volumes	Auto correlation descriptor	2D	157.189
PaDEL	AATS3v	Average Broto-Moreau autocorrelation - lag 3 / weighted by van der Waals volumes	Auto correlation descriptor	2D	122.787
PaDEL	AATS4v	Average Broto-Moreau autocorrelation - lag 4 / weighted by van der Waals volumes	Auto correlation descriptor	2D	123.416
PaDEL	AATS5v	Average Broto-Moreau autocorrelation - lag 5 / weighted by van der Waals volumes	Auto correlation descriptor	2D	126.078
PaDEL	AATS6v	Average Broto-Moreau autocorrelation - lag 6 / weighted by van der Waals volumes	Auto correlation descriptor	2D	125.657
PaDEL	AATS7v	Average Broto-Moreau autocorrelation - lag 7 / weighted by van der Waals volumes	Auto correlation descriptor	2D	121.963
PaDEL	AATS8v	Average Broto-Moreau autocorrelation - lag 8 / weighted by van der Waals volumes	Auto correlation descriptor	2D	122.463
PaDEL	AATS0e	Average Broto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	7.545
PaDEL	AATS1e	Average Broto-Moreau autocorrelation - lag 1 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	7.607
PaDEL	AATS2e	Average Broto-Moreau autocorrelation - lag 2 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	7.565
PaDEL	AATS3e	Average Broto-Moreau autocorrelation - lag 3 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	7.384
PaDEL	AATS4e	Average Broto-Moreau autocorrelation - lag 4 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	7.369
PaDEL	AATS5e	Average Broto-Moreau autocorrelation - lag 5 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	7.534
PaDEL	AATS6e	Average Broto-Moreau autocorrelation - lag 6 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	7.526
PaDEL	AATS7e	Average Broto-Moreau autocorrelation - lag 7 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	7.482
PaDEL	AATS8e	Average Broto-Moreau autocorrelation - lag 8 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	7.401
PaDEL	AATS0p	Average Broto-Moreau autocorrelation - lag 0 / weighted by polarizabilities	Auto correlation descriptor	2D	1.243
PaDEL	AATS1p	Average Broto-Moreau autocorrelation - lag 1 / weighted by polarizabilities	Auto correlation descriptor	2D	1.606
PaDEL	AATS2p	Average Broto-Moreau autocorrelation - lag 2 / weighted by polarizabilities	Auto correlation descriptor	2D	1.209
PaDEL	AATS3p	Average Broto-Moreau autocorrelation - lag 3 / weighted by polarizabilities	Auto correlation descriptor	2D	0.996
PaDEL	AATS4p	Average Broto-Moreau autocorrelation - lag 4 / weighted by polarizabilities	Auto correlation descriptor	2D	0.996
PaDEL	AATS5p	Average Broto-Moreau autocorrelation - lag 5 / weighted by polarizabilities	Auto correlation descriptor	2D	0.994
PaDEL	AATS6p	Average Broto-Moreau autocorrelation - lag 6 / weighted by polarizabilities	Auto correlation descriptor	2D	0.999
PaDEL	AATS7p	Average Broto-Moreau autocorrelation - lag 7 / weighted by polarizabilities	Auto correlation descriptor	2D	0.987
PaDEL	AATS8p	Average Broto-Moreau autocorrelation - lag 8 / weighted by polarizabilities	Auto correlation descriptor	2D	1
PaDEL	AATS0i	Average Broto-Moreau autocorrelation - lag 0 / weighted by first ionization potential	Auto correlation descriptor	2D	165.588
PaDEL	AATS1i	Average Broto-Moreau autocorrelation - lag 1 / weighted by first ionization potential	Auto correlation descriptor	2D	145.868
PaDEL	AATS2i	Average Broto-Moreau autocorrelation - lag 2 / weighted by first ionization potential	Auto correlation descriptor	2D	157.253
PaDEL	AATS3i	Average Broto-Moreau autocorrelation - lag 3 / weighted by first ionization potential	Auto correlation descriptor	2D	165.167
PaDEL	AATS4i	Average Broto-Moreau autocorrelation - lag 4 / weighted by first ionization potential	Auto correlation descriptor	2D	165.195
PaDEL	AATS5i	Average Broto-Moreau autocorrelation - lag 5 / weighted by first ionization potential	Auto correlation descriptor	2D	165.484
PaDEL	AATS6i	Average Broto-Moreau autocorrelation - lag 6 / weighted by first ionization potential	Auto correlation descriptor	2D	165.111
PaDEL	AATS7i	Average Broto-Moreau autocorrelation - lag 7 / weighted by first ionization potential	Auto correlation descriptor	2D	165.795
PaDEL	AATS8i	Average Broto-Moreau autocorrelation - lag 8 / weighted by first ionization potential	Auto correlation descriptor	2D	164.835
PaDEL	AATS0s	Average Broto-Moreau autocorrelation - lag 0 / weighted by I-state	Auto correlation descriptor	2D	4.121
PaDEL	AATS1s	Average Broto-Moreau autocorrelation - lag 1 / weighted by I-state	Auto correlation descriptor	2D	2.713
PaDEL	AATS2s	Average Broto-Moreau autocorrelation - lag 2 / weighted by I-state	Auto correlation descriptor	2D	2.683
PaDEL	AATS3s	Average Broto-Moreau autocorrelation - lag 3 / weighted by I-state	Auto correlation descriptor	2D	2.678
PaDEL	AATS4s	Average Broto-Moreau autocorrelation - lag 4 / weighted by I-state	Auto correlation descriptor	2D	2.197
PaDEL	AATS5s	Average Broto-Moreau autocorrelation - lag 5 / weighted by I-state	Auto correlation descriptor	2D	2.602
PaDEL	AATS6s	Average Broto-Moreau autocorrelation - lag 6 / weighted by I-state	Auto correlation descriptor	2D	2.568
PaDEL	AATS7s	Average Broto-Moreau autocorrelation - lag 7 / weighted by I-state	Auto correlation descriptor	2D	2.295
PaDEL	AATS8s	Average Broto-Moreau autocorrelation - lag 8 / weighted by I-state	Auto correlation descriptor	2D	2.218
PaDEL	ATSC0c	Centered Broto-Moreau autocorrelation - lag 0 / weighted by charges	Auto correlation descriptor	2D	0.662
PaDEL	ATSC1c	Centered Broto-Moreau autocorrelation - lag 1 / weighted by charges	Auto correlation descriptor	2D	-0.316
PaDEL	ATSC2c	Centered Broto-Moreau autocorrelation - lag 2 / weighted by charges	Auto correlation descriptor	2D	-0.281
PaDEL	ATSC3c	Centered Broto-Moreau autocorrelation - lag 3 / weighted by charges	Auto correlation descriptor	2D	0.398
PaDEL	ATSC4c	Centered Broto-Moreau autocorrelation - lag 4 / weighted by charges	Auto correlation descriptor	2D	-0.091
PaDEL	ATSC5c	Centered Broto-Moreau autocorrelation - lag 5 / weighted by charges	Auto correlation descriptor	2D	-0.041
PaDEL	ATSC6c	Centered Broto-Moreau autocorrelation - lag 6 / weighted by charges	Auto correlation descriptor	2D	0.04
PaDEL	ATSC7c	Centered Broto-Moreau autocorrelation - lag 7 / weighted by charges	Auto correlation descriptor	2D	-0.057
PaDEL	ATSC8c	Centered Broto-Moreau autocorrelation - lag 8 / weighted by charges	Auto correlation descriptor	2D	0.003
PaDEL	ATSC0m	Centered Broto-Moreau autocorrelation - lag 0 / weighted by mass	Auto correlation descriptor	2D	1675.525
PaDEL	ATSC1m	Centered Broto-Moreau autocorrelation - lag 1 / weighted by mass	Auto correlation descriptor	2D	11.502
PaDEL	ATSC2m	Centered Broto-Moreau autocorrelation - lag 2 / weighted by mass	Auto correlation descriptor	2D	-226.627
PaDEL	ATSC3m	Centered Broto-Moreau autocorrelation - lag 3 / weighted by mass	Auto correlation descriptor	2D	712.565
PaDEL	ATSC4m	Centered Broto-Moreau autocorrelation - lag 4 / weighted by mass	Auto correlation descriptor	2D	258.763
PaDEL	ATSC5m	Centered Broto-Moreau autocorrelation - lag 5 / weighted by mass	Auto correlation descriptor	2D	-99.654
PaDEL	ATSC6m	Centered Broto-Moreau autocorrelation - lag 6 / weighted by mass	Auto correlation descriptor	2D	-215.252
PaDEL	ATSC7m	Centered Broto-Moreau autocorrelation - lag 7 / weighted by mass	Auto correlation descriptor	2D	-248.101
PaDEL	ATSC8m	Centered Broto-Moreau autocorrelation - lag 8 / weighted by mass	Auto correlation descriptor	2D	-135.36
PaDEL	ATSC0v	Centered Broto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumes	Auto correlation descriptor	2D	2341.831
PaDEL	ATSC1v	Centered Broto-Moreau autocorrelation - lag 1 / weighted by van der Waals volumes	Auto correlation descriptor	2D	-193.89
PaDEL	ATSC2v	Centered Broto-Moreau autocorrelation - lag 2 / weighted by van der Waals volumes	Auto correlation descriptor	2D	-848.028
PaDEL	ATSC3v	Centered Broto-Moreau autocorrelation - lag 3 / weighted by van der Waals volumes	Auto correlation descriptor	2D	267.788
PaDEL	ATSC4v	Centered Broto-Moreau autocorrelation - lag 4 / weighted by van der Waals volumes	Auto correlation descriptor	2D	266.668
PaDEL	ATSC5v	Centered Broto-Moreau autocorrelation - lag 5 / weighted by van der Waals volumes	Auto correlation descriptor	2D	31.453
PaDEL	ATSC6v	Centered Broto-Moreau autocorrelation - lag 6 / weighted by van der Waals volumes	Auto correlation descriptor	2D	-145.263
PaDEL	ATSC7v	Centered Broto-Moreau autocorrelation - lag 7 / weighted by van der Waals volumes	Auto correlation descriptor	2D	-47.825
PaDEL	ATSC8v	Centered Broto-Moreau autocorrelation - lag 8 / weighted by van der Waals volumes	Auto correlation descriptor	2D	-121.915
PaDEL	ATSC0e	Centered Broto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	3.952
PaDEL	ATSC1e	Centered Broto-Moreau autocorrelation - lag 1 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	0.026
PaDEL	ATSC2e	Centered Broto-Moreau autocorrelation - lag 2 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	1.466
PaDEL	ATSC3e	Centered Broto-Moreau autocorrelation - lag 3 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	3.88
PaDEL	ATSC4e	Centered Broto-Moreau autocorrelation - lag 4 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	-0.196
PaDEL	ATSC5e	Centered Broto-Moreau autocorrelation - lag 5 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	-0.989
PaDEL	ATSC6e	Centered Broto-Moreau autocorrelation - lag 6 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	-0.95
PaDEL	ATSC7e	Centered Broto-Moreau autocorrelation - lag 7 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	-0.97
PaDEL	ATSC8e	Centered Broto-Moreau autocorrelation - lag 8 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	-0.494
PaDEL	ATSC0p	Centered Broto-Moreau autocorrelation - lag 0 / weighted by polarizabilities	Auto correlation descriptor	2D	10.441
PaDEL	ATSC1p	Centered Broto-Moreau autocorrelation - lag 1 / weighted by polarizabilities	Auto correlation descriptor	2D	-1.574
PaDEL	ATSC2p	Centered Broto-Moreau autocorrelation - lag 2 / weighted by polarizabilities	Auto correlation descriptor	2D	-4.153
PaDEL	ATSC3p	Centered Broto-Moreau autocorrelation - lag 3 / weighted by polarizabilities	Auto correlation descriptor	2D	0.298
PaDEL	ATSC4p	Centered Broto-Moreau autocorrelation - lag 4 / weighted by polarizabilities	Auto correlation descriptor	2D	0.296
PaDEL	ATSC5p	Centered Broto-Moreau autocorrelation - lag 5 / weighted by polarizabilities	Auto correlation descriptor	2D	0.181
PaDEL	ATSC6p	Centered Broto-Moreau autocorrelation - lag 6 / weighted by polarizabilities	Auto correlation descriptor	2D	-0.437
PaDEL	ATSC7p	Centered Broto-Moreau autocorrelation - lag 7 / weighted by polarizabilities	Auto correlation descriptor	2D	0.522
PaDEL	ATSC8p	Centered Broto-Moreau autocorrelation - lag 8 / weighted by polarizabilities	Auto correlation descriptor	2D	-0.44
PaDEL	ATSC0i	Centered Broto-Moreau autocorrelation - lag 0 / weighted by first ionization potential	Auto correlation descriptor	2D	58.437
PaDEL	ATSC1i	Centered Broto-Moreau autocorrelation - lag 1 / weighted by first ionization potential	Auto correlation descriptor	2D	-9.793
PaDEL	ATSC2i	Centered Broto-Moreau autocorrelation - lag 2 / weighted by first ionization potential	Auto correlation descriptor	2D	-22.461
PaDEL	ATSC3i	Centered Broto-Moreau autocorrelation - lag 3 / weighted by first ionization potential	Auto correlation descriptor	2D	1.858
PaDEL	ATSC4i	Centered Broto-Moreau autocorrelation - lag 4 / weighted by first ionization potential	Auto correlation descriptor	2D	-0.103
PaDEL	ATSC5i	Centered Broto-Moreau autocorrelation - lag 5 / weighted by first ionization potential	Auto correlation descriptor	2D	0.578
PaDEL	ATSC6i	Centered Broto-Moreau autocorrelation - lag 6 / weighted by first ionization potential	Auto correlation descriptor	2D	-2.439
PaDEL	ATSC7i	Centered Broto-Moreau autocorrelation - lag 7 / weighted by first ionization potential	Auto correlation descriptor	2D	3.69
PaDEL	ATSC8i	Centered Broto-Moreau autocorrelation - lag 8 / weighted by first ionization potential	Auto correlation descriptor	2D	-2.435
PaDEL	ATSC0s	Centered Broto-Moreau autocorrelation - lag 0 / weighted by I-state	Auto correlation descriptor	2D	77.999
PaDEL	ATSC1s	Centered Broto-Moreau autocorrelation - lag 1 / weighted by I-state	Auto correlation descriptor	2D	-0.041
PaDEL	ATSC2s	Centered Broto-Moreau autocorrelation - lag 2 / weighted by I-state	Auto correlation descriptor	2D	22.79
PaDEL	ATSC3s	Centered Broto-Moreau autocorrelation - lag 3 / weighted by I-state	Auto correlation descriptor	2D	67.119
PaDEL	ATSC4s	Centered Broto-Moreau autocorrelation - lag 4 / weighted by I-state	Auto correlation descriptor	2D	-1.638
PaDEL	ATSC5s	Centered Broto-Moreau autocorrelation - lag 5 / weighted by I-state	Auto correlation descriptor	2D	-7.115
PaDEL	ATSC6s	Centered Broto-Moreau autocorrelation - lag 6 / weighted by I-state	Auto correlation descriptor	2D	-7.817
PaDEL	ATSC7s	Centered Broto-Moreau autocorrelation - lag 7 / weighted by I-state	Auto correlation descriptor	2D	-16.857
PaDEL	ATSC8s	Centered Broto-Moreau autocorrelation - lag 8 / weighted by I-state	Auto correlation descriptor	2D	-10.762
PaDEL	AATSC0c	Average centered Broto-Moreau autocorrelation - lag 0 / weighted by charges	Auto correlation descriptor	2D	0.014
PaDEL	AATSC1c	Average centered Broto-Moreau autocorrelation - lag 1 / weighted by charges	Auto correlation descriptor	2D	-0.007
PaDEL	AATSC2c	Average centered Broto-Moreau autocorrelation - lag 2 / weighted by charges	Auto correlation descriptor	2D	-0.003
PaDEL	AATSC3c	Average centered Broto-Moreau autocorrelation - lag 3 / weighted by charges	Auto correlation descriptor	2D	0.003
PaDEL	AATSC4c	Average centered Broto-Moreau autocorrelation - lag 4 / weighted by charges	Auto correlation descriptor	2D	-0.001
PaDEL	AATSC5c	Average centered Broto-Moreau autocorrelation - lag 5 / weighted by charges	Auto correlation descriptor	2D	-0
PaDEL	AATSC6c	Average centered Broto-Moreau autocorrelation - lag 6 / weighted by charges	Auto correlation descriptor	2D	0
PaDEL	AATSC7c	Average centered Broto-Moreau autocorrelation - lag 7 / weighted by charges	Auto correlation descriptor	2D	-0.001
PaDEL	AATSC8c	Average centered Broto-Moreau autocorrelation - lag 8 / weighted by charges	Auto correlation descriptor	2D	0
PaDEL	AATSC0m	Average centered Broto-Moreau autocorrelation - lag 0 / weighted by mass	Auto correlation descriptor	2D	34.907
PaDEL	AATSC1m	Average centered Broto-Moreau autocorrelation - lag 1 / weighted by mass	Auto correlation descriptor	2D	0.245
PaDEL	AATSC2m	Average centered Broto-Moreau autocorrelation - lag 2 / weighted by mass	Auto correlation descriptor	2D	-2.635
PaDEL	AATSC3m	Average centered Broto-Moreau autocorrelation - lag 3 / weighted by mass	Auto correlation descriptor	2D	6.251
PaDEL	AATSC4m	Average centered Broto-Moreau autocorrelation - lag 4 / weighted by mass	Auto correlation descriptor	2D	2.396
PaDEL	AATSC5m	Average centered Broto-Moreau autocorrelation - lag 5 / weighted by mass	Auto correlation descriptor	2D	-0.997
PaDEL	AATSC6m	Average centered Broto-Moreau autocorrelation - lag 6 / weighted by mass	Auto correlation descriptor	2D	-2.34
PaDEL	AATSC7m	Average centered Broto-Moreau autocorrelation - lag 7 / weighted by mass	Auto correlation descriptor	2D	-2.852
PaDEL	AATSC8m	Average centered Broto-Moreau autocorrelation - lag 8 / weighted by mass	Auto correlation descriptor	2D	-1.692
PaDEL	AATSC0v	Average centered Broto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumes	Auto correlation descriptor	2D	48.788
PaDEL	AATSC1v	Average centered Broto-Moreau autocorrelation - lag 1 / weighted by van der Waals volumes	Auto correlation descriptor	2D	-4.125
PaDEL	AATSC2v	Average centered Broto-Moreau autocorrelation - lag 2 / weighted by van der Waals volumes	Auto correlation descriptor	2D	-9.861
PaDEL	AATSC3v	Average centered Broto-Moreau autocorrelation - lag 3 / weighted by van der Waals volumes	Auto correlation descriptor	2D	2.349
PaDEL	AATSC4v	Average centered Broto-Moreau autocorrelation - lag 4 / weighted by van der Waals volumes	Auto correlation descriptor	2D	2.469
PaDEL	AATSC5v	Average centered Broto-Moreau autocorrelation - lag 5 / weighted by van der Waals volumes	Auto correlation descriptor	2D	0.315
PaDEL	AATSC6v	Average centered Broto-Moreau autocorrelation - lag 6 / weighted by van der Waals volumes	Auto correlation descriptor	2D	-1.579
PaDEL	AATSC7v	Average centered Broto-Moreau autocorrelation - lag 7 / weighted by van der Waals volumes	Auto correlation descriptor	2D	-0.55
PaDEL	AATSC8v	Average centered Broto-Moreau autocorrelation - lag 8 / weighted by van der Waals volumes	Auto correlation descriptor	2D	-1.524
PaDEL	AATSC0e	Average centered Broto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	0.082
PaDEL	AATSC1e	Average centered Broto-Moreau autocorrelation - lag 1 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	0.001
PaDEL	AATSC2e	Average centered Broto-Moreau autocorrelation - lag 2 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	0.017
PaDEL	AATSC3e	Average centered Broto-Moreau autocorrelation - lag 3 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	0.034
PaDEL	AATSC4e	Average centered Broto-Moreau autocorrelation - lag 4 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	-0.002
PaDEL	AATSC5e	Average centered Broto-Moreau autocorrelation - lag 5 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	-0.01
PaDEL	AATSC6e	Average centered Broto-Moreau autocorrelation - lag 6 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	-0.01
PaDEL	AATSC7e	Average centered Broto-Moreau autocorrelation - lag 7 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	-0.011
PaDEL	AATSC8e	Average centered Broto-Moreau autocorrelation - lag 8 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	-0.006
PaDEL	AATSC0p	Average centered Broto-Moreau autocorrelation - lag 0 / weighted by polarizabilities	Auto correlation descriptor	2D	0.218
PaDEL	AATSC1p	Average centered Broto-Moreau autocorrelation - lag 1 / weighted by polarizabilities	Auto correlation descriptor	2D	-0.033
PaDEL	AATSC2p	Average centered Broto-Moreau autocorrelation - lag 2 / weighted by polarizabilities	Auto correlation descriptor	2D	-0.048
PaDEL	AATSC3p	Average centered Broto-Moreau autocorrelation - lag 3 / weighted by polarizabilities	Auto correlation descriptor	2D	0.003
PaDEL	AATSC4p	Average centered Broto-Moreau autocorrelation - lag 4 / weighted by polarizabilities	Auto correlation descriptor	2D	0.003
PaDEL	AATSC5p	Average centered Broto-Moreau autocorrelation - lag 5 / weighted by polarizabilities	Auto correlation descriptor	2D	0.002
PaDEL	AATSC6p	Average centered Broto-Moreau autocorrelation - lag 6 / weighted by polarizabilities	Auto correlation descriptor	2D	-0.005
PaDEL	AATSC7p	Average centered Broto-Moreau autocorrelation - lag 7 / weighted by polarizabilities	Auto correlation descriptor	2D	0.006
PaDEL	AATSC8p	Average centered Broto-Moreau autocorrelation - lag 8 / weighted by polarizabilities	Auto correlation descriptor	2D	-0.006
PaDEL	AATSC0i	Average centered Broto-Moreau autocorrelation - lag 0 / weighted by first ionization potential	Auto correlation descriptor	2D	1.217
PaDEL	AATSC1i	Average centered Broto-Moreau autocorrelation - lag 1 / weighted by first ionization potential	Auto correlation descriptor	2D	-0.208
PaDEL	AATSC2i	Average centered Broto-Moreau autocorrelation - lag 2 / weighted by first ionization potential	Auto correlation descriptor	2D	-0.261
PaDEL	AATSC3i	Average centered Broto-Moreau autocorrelation - lag 3 / weighted by first ionization potential	Auto correlation descriptor	2D	0.016
PaDEL	AATSC4i	Average centered Broto-Moreau autocorrelation - lag 4 / weighted by first ionization potential	Auto correlation descriptor	2D	-0.001
PaDEL	AATSC5i	Average centered Broto-Moreau autocorrelation - lag 5 / weighted by first ionization potential	Auto correlation descriptor	2D	0.006
PaDEL	AATSC6i	Average centered Broto-Moreau autocorrelation - lag 6 / weighted by first ionization potential	Auto correlation descriptor	2D	-0.027
PaDEL	AATSC7i	Average centered Broto-Moreau autocorrelation - lag 7 / weighted by first ionization potential	Auto correlation descriptor	2D	0.042
PaDEL	AATSC8i	Average centered Broto-Moreau autocorrelation - lag 8 / weighted by first ionization potential	Auto correlation descriptor	2D	-0.03
PaDEL	AATSC0s	Average centered Broto-Moreau autocorrelation - lag 0 / weighted by I-state	Auto correlation descriptor	2D	1.625
PaDEL	AATSC1s	Average centered Broto-Moreau autocorrelation - lag 1 / weighted by I-state	Auto correlation descriptor	2D	-0.001
PaDEL	AATSC2s	Average centered Broto-Moreau autocorrelation - lag 2 / weighted by I-state	Auto correlation descriptor	2D	0.265
PaDEL	AATSC3s	Average centered Broto-Moreau autocorrelation - lag 3 / weighted by I-state	Auto correlation descriptor	2D	0.589
PaDEL	AATSC4s	Average centered Broto-Moreau autocorrelation - lag 4 / weighted by I-state	Auto correlation descriptor	2D	-0.015
PaDEL	AATSC5s	Average centered Broto-Moreau autocorrelation - lag 5 / weighted by I-state	Auto correlation descriptor	2D	-0.071
PaDEL	AATSC6s	Average centered Broto-Moreau autocorrelation - lag 6 / weighted by I-state	Auto correlation descriptor	2D	-0.085
PaDEL	AATSC7s	Average centered Broto-Moreau autocorrelation - lag 7 / weighted by I-state	Auto correlation descriptor	2D	-0.194
PaDEL	AATSC8s	Average centered Broto-Moreau autocorrelation - lag 8 / weighted by I-state	Auto correlation descriptor	2D	-0.135
PaDEL	MATS1c	Moran autocorrelation - lag 1 / weighted by charges	Auto correlation descriptor	2D	-0.487
PaDEL	MATS2c	Moran autocorrelation - lag 2 / weighted by charges	Auto correlation descriptor	2D	-0.237
PaDEL	MATS3c	Moran autocorrelation - lag 3 / weighted by charges	Auto correlation descriptor	2D	0.253
PaDEL	MATS4c	Moran autocorrelation - lag 4 / weighted by charges	Auto correlation descriptor	2D	-0.061
PaDEL	MATS5c	Moran autocorrelation - lag 5 / weighted by charges	Auto correlation descriptor	2D	-0.029
PaDEL	MATS6c	Moran autocorrelation - lag 6 / weighted by charges	Auto correlation descriptor	2D	0.032
PaDEL	MATS7c	Moran autocorrelation - lag 7 / weighted by charges	Auto correlation descriptor	2D	-0.048
PaDEL	MATS8c	Moran autocorrelation - lag 8 / weighted by charges	Auto correlation descriptor	2D	0.003
PaDEL	MATS1m	Moran autocorrelation - lag 1 / weighted by mass	Auto correlation descriptor	2D	0.007
PaDEL	MATS2m	Moran autocorrelation - lag 2 / weighted by mass	Auto correlation descriptor	2D	-0.075
PaDEL	MATS3m	Moran autocorrelation - lag 3 / weighted by mass	Auto correlation descriptor	2D	0.179
PaDEL	MATS4m	Moran autocorrelation - lag 4 / weighted by mass	Auto correlation descriptor	2D	0.069
PaDEL	MATS5m	Moran autocorrelation - lag 5 / weighted by mass	Auto correlation descriptor	2D	-0.029
PaDEL	MATS6m	Moran autocorrelation - lag 6 / weighted by mass	Auto correlation descriptor	2D	-0.067
PaDEL	MATS7m	Moran autocorrelation - lag 7 / weighted by mass	Auto correlation descriptor	2D	-0.082
PaDEL	MATS8m	Moran autocorrelation - lag 8 / weighted by mass	Auto correlation descriptor	2D	-0.048
PaDEL	MATS1v	Moran autocorrelation - lag 1 / weighted by van der Waals volumes	Auto correlation descriptor	2D	-0.085
PaDEL	MATS2v	Moran autocorrelation - lag 2 / weighted by van der Waals volumes	Auto correlation descriptor	2D	-0.202
PaDEL	MATS3v	Moran autocorrelation - lag 3 / weighted by van der Waals volumes	Auto correlation descriptor	2D	0.048
PaDEL	MATS4v	Moran autocorrelation - lag 4 / weighted by van der Waals volumes	Auto correlation descriptor	2D	0.051
PaDEL	MATS5v	Moran autocorrelation - lag 5 / weighted by van der Waals volumes	Auto correlation descriptor	2D	0.006
PaDEL	MATS6v	Moran autocorrelation - lag 6 / weighted by van der Waals volumes	Auto correlation descriptor	2D	-0.032
PaDEL	MATS7v	Moran autocorrelation - lag 7 / weighted by van der Waals volumes	Auto correlation descriptor	2D	-0.011
PaDEL	MATS8v	Moran autocorrelation - lag 8 / weighted by van der Waals volumes	Auto correlation descriptor	2D	-0.031
PaDEL	MATS1e	Moran autocorrelation - lag 1 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	0.007
PaDEL	MATS2e	Moran autocorrelation - lag 2 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	0.207
PaDEL	MATS3e	Moran autocorrelation - lag 3 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	0.413
PaDEL	MATS4e	Moran autocorrelation - lag 4 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	-0.022
PaDEL	MATS5e	Moran autocorrelation - lag 5 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	-0.12
PaDEL	MATS6e	Moran autocorrelation - lag 6 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	-0.125
PaDEL	MATS7e	Moran autocorrelation - lag 7 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	-0.135
PaDEL	MATS8e	Moran autocorrelation - lag 8 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	-0.075
PaDEL	MATS1p	Moran autocorrelation - lag 1 / weighted by polarizabilities	Auto correlation descriptor	2D	-0.154
PaDEL	MATS2p	Moran autocorrelation - lag 2 / weighted by polarizabilities	Auto correlation descriptor	2D	-0.222
PaDEL	MATS3p	Moran autocorrelation - lag 3 / weighted by polarizabilities	Auto correlation descriptor	2D	0.012
PaDEL	MATS4p	Moran autocorrelation - lag 4 / weighted by polarizabilities	Auto correlation descriptor	2D	0.013
PaDEL	MATS5p	Moran autocorrelation - lag 5 / weighted by polarizabilities	Auto correlation descriptor	2D	0.008
PaDEL	MATS6p	Moran autocorrelation - lag 6 / weighted by polarizabilities	Auto correlation descriptor	2D	-0.022
PaDEL	MATS7p	Moran autocorrelation - lag 7 / weighted by polarizabilities	Auto correlation descriptor	2D	0.028
PaDEL	MATS8p	Moran autocorrelation - lag 8 / weighted by polarizabilities	Auto correlation descriptor	2D	-0.025
PaDEL	MATS1i	Moran autocorrelation - lag 1 / weighted by first ionization potential	Auto correlation descriptor	2D	-0.171
PaDEL	MATS2i	Moran autocorrelation - lag 2 / weighted by first ionization potential	Auto correlation descriptor	2D	-0.215
PaDEL	MATS3i	Moran autocorrelation - lag 3 / weighted by first ionization potential	Auto correlation descriptor	2D	0.013
PaDEL	MATS4i	Moran autocorrelation - lag 4 / weighted by first ionization potential	Auto correlation descriptor	2D	-0.001
PaDEL	MATS5i	Moran autocorrelation - lag 5 / weighted by first ionization potential	Auto correlation descriptor	2D	0.005
PaDEL	MATS6i	Moran autocorrelation - lag 6 / weighted by first ionization potential	Auto correlation descriptor	2D	-0.022
PaDEL	MATS7i	Moran autocorrelation - lag 7 / weighted by first ionization potential	Auto correlation descriptor	2D	0.035
PaDEL	MATS8i	Moran autocorrelation - lag 8 / weighted by first ionization potential	Auto correlation descriptor	2D	-0.025
PaDEL	MATS1s	Moran autocorrelation - lag 1 / weighted by I-state	Auto correlation descriptor	2D	-0.001
PaDEL	MATS2s	Moran autocorrelation - lag 2 / weighted by I-state	Auto correlation descriptor	2D	0.163
PaDEL	MATS3s	Moran autocorrelation - lag 3 / weighted by I-state	Auto correlation descriptor	2D	0.362
PaDEL	MATS4s	Moran autocorrelation - lag 4 / weighted by I-state	Auto correlation descriptor	2D	-0.009
PaDEL	MATS5s	Moran autocorrelation - lag 5 / weighted by I-state	Auto correlation descriptor	2D	-0.044
PaDEL	MATS6s	Moran autocorrelation - lag 6 / weighted by I-state	Auto correlation descriptor	2D	-0.052
PaDEL	MATS7s	Moran autocorrelation - lag 7 / weighted by I-state	Auto correlation descriptor	2D	-0.119
PaDEL	MATS8s	Moran autocorrelation - lag 8 / weighted by I-state	Auto correlation descriptor	2D	-0.083
PaDEL	GATS1c	Geary autocorrelation - lag 1 / weighted by charges	Auto correlation descriptor	2D	1.612
PaDEL	GATS2c	Geary autocorrelation - lag 2 / weighted by charges	Auto correlation descriptor	2D	1.179
PaDEL	GATS3c	Geary autocorrelation - lag 3 / weighted by charges	Auto correlation descriptor	2D	0.572
PaDEL	GATS4c	Geary autocorrelation - lag 4 / weighted by charges	Auto correlation descriptor	2D	1.02
PaDEL	GATS5c	Geary autocorrelation - lag 5 / weighted by charges	Auto correlation descriptor	2D	1.142
PaDEL	GATS6c	Geary autocorrelation - lag 6 / weighted by charges	Auto correlation descriptor	2D	1.013
PaDEL	GATS7c	Geary autocorrelation - lag 7 / weighted by charges	Auto correlation descriptor	2D	0.993
PaDEL	GATS8c	Geary autocorrelation - lag 8 / weighted by charges	Auto correlation descriptor	2D	0.887
PaDEL	GATS1m	Geary autocorrelation - lag 1 / weighted by mass	Auto correlation descriptor	2D	1.04
PaDEL	GATS2m	Geary autocorrelation - lag 2 / weighted by mass	Auto correlation descriptor	2D	1.09
PaDEL	GATS3m	Geary autocorrelation - lag 3 / weighted by mass	Auto correlation descriptor	2D	0.761
PaDEL	GATS4m	Geary autocorrelation - lag 4 / weighted by mass	Auto correlation descriptor	2D	0.877
PaDEL	GATS5m	Geary autocorrelation - lag 5 / weighted by mass	Auto correlation descriptor	2D	1.037
PaDEL	GATS6m	Geary autocorrelation - lag 6 / weighted by mass	Auto correlation descriptor	2D	1.072
PaDEL	GATS7m	Geary autocorrelation - lag 7 / weighted by mass	Auto correlation descriptor	2D	1.07
PaDEL	GATS8m	Geary autocorrelation - lag 8 / weighted by mass	Auto correlation descriptor	2D	1.006
PaDEL	GATS1v	Geary autocorrelation - lag 1 / weighted by van der Waals volumes	Auto correlation descriptor	2D	1.39
PaDEL	GATS2v	Geary autocorrelation - lag 2 / weighted by van der Waals volumes	Auto correlation descriptor	2D	1.298
PaDEL	GATS3v	Geary autocorrelation - lag 3 / weighted by van der Waals volumes	Auto correlation descriptor	2D	0.926
PaDEL	GATS4v	Geary autocorrelation - lag 4 / weighted by van der Waals volumes	Auto correlation descriptor	2D	0.921
PaDEL	GATS5v	Geary autocorrelation - lag 5 / weighted by van der Waals volumes	Auto correlation descriptor	2D	0.946
PaDEL	GATS6v	Geary autocorrelation - lag 6 / weighted by van der Waals volumes	Auto correlation descriptor	2D	0.991
PaDEL	GATS7v	Geary autocorrelation - lag 7 / weighted by van der Waals volumes	Auto correlation descriptor	2D	0.962
PaDEL	GATS8v	Geary autocorrelation - lag 8 / weighted by van der Waals volumes	Auto correlation descriptor	2D	1.005
PaDEL	GATS1e	Geary autocorrelation - lag 1 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	0.71
PaDEL	GATS2e	Geary autocorrelation - lag 2 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	0.731
PaDEL	GATS3e	Geary autocorrelation - lag 3 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	0.404
PaDEL	GATS4e	Geary autocorrelation - lag 4 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	0.867
PaDEL	GATS5e	Geary autocorrelation - lag 5 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	1.266
PaDEL	GATS6e	Geary autocorrelation - lag 6 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	1.248
PaDEL	GATS7e	Geary autocorrelation - lag 7 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	1.202
PaDEL	GATS8e	Geary autocorrelation - lag 8 / weighted by Sanderson electronegativities	Auto correlation descriptor	2D	0.972
PaDEL	GATS1p	Geary autocorrelation - lag 1 / weighted by polarizabilities	Auto correlation descriptor	2D	1.566
PaDEL	GATS2p	Geary autocorrelation - lag 2 / weighted by polarizabilities	Auto correlation descriptor	2D	1.358
PaDEL	GATS3p	Geary autocorrelation - lag 3 / weighted by polarizabilities	Auto correlation descriptor	2D	0.955
PaDEL	GATS4p	Geary autocorrelation - lag 4 / weighted by polarizabilities	Auto correlation descriptor	2D	0.952
PaDEL	GATS5p	Geary autocorrelation - lag 5 / weighted by polarizabilities	Auto correlation descriptor	2D	0.94
PaDEL	GATS6p	Geary autocorrelation - lag 6 / weighted by polarizabilities	Auto correlation descriptor	2D	0.978
PaDEL	GATS7p	Geary autocorrelation - lag 7 / weighted by polarizabilities	Auto correlation descriptor	2D	0.917
PaDEL	GATS8p	Geary autocorrelation - lag 8 / weighted by polarizabilities	Auto correlation descriptor	2D	0.995
PaDEL	GATS1i	Geary autocorrelation - lag 1 / weighted by first ionization potential	Auto correlation descriptor	2D	1.595
PaDEL	GATS2i	Geary autocorrelation - lag 2 / weighted by first ionization potential	Auto correlation descriptor	2D	1.357
PaDEL	GATS3i	Geary autocorrelation - lag 3 / weighted by first ionization potential	Auto correlation descriptor	2D	0.946
PaDEL	GATS4i	Geary autocorrelation - lag 4 / weighted by first ionization potential	Auto correlation descriptor	2D	0.959
PaDEL	GATS5i	Geary autocorrelation - lag 5 / weighted by first ionization potential	Auto correlation descriptor	2D	0.948
PaDEL	GATS6i	Geary autocorrelation - lag 6 / weighted by first ionization potential	Auto correlation descriptor	2D	0.982
PaDEL	GATS7i	Geary autocorrelation - lag 7 / weighted by first ionization potential	Auto correlation descriptor	2D	0.911
PaDEL	GATS8i	Geary autocorrelation - lag 8 / weighted by first ionization potential	Auto correlation descriptor	2D	0.991
PaDEL	GATS1s	Geary autocorrelation - lag 1 / weighted by I-state	Auto correlation descriptor	2D	0.581
PaDEL	GATS2s	Geary autocorrelation - lag 2 / weighted by I-state	Auto correlation descriptor	2D	0.497
PaDEL	GATS3s	Geary autocorrelation - lag 3 / weighted by I-state	Auto correlation descriptor	2D	0.342
PaDEL	GATS4s	Geary autocorrelation - lag 4 / weighted by I-state	Auto correlation descriptor	2D	0.87
PaDEL	GATS5s	Geary autocorrelation - lag 5 / weighted by I-state	Auto correlation descriptor	2D	1.251
PaDEL	GATS6s	Geary autocorrelation - lag 6 / weighted by I-state	Auto correlation descriptor	2D	1.244
PaDEL	GATS7s	Geary autocorrelation - lag 7 / weighted by I-state	Auto correlation descriptor	2D	1.166
PaDEL	GATS8s	Geary autocorrelation - lag 8 / weighted by I-state	Auto correlation descriptor	2D	0.978
PaDEL	SpAbs_DzZ	Graph energy from Barysz matrix / weighted by atomic number	Barysz Matrix descriptor	2D	226.882
PaDEL	SpMax_DzZ	Leading eigenvalue from Barysz matrix / weighted by atomic number	Barysz Matrix descriptor	2D	113.941
PaDEL	SpDiam_DzZ	Spectral diameter from Barysz matrix / weighted by atomic number	Barysz Matrix descriptor	2D	181.64
PaDEL	SpAD_DzZ	Spectral absolute deviation from Barysz matrix / weighted by atomic number	Barysz Matrix descriptor	2D	227.782
PaDEL	SpMAD_DzZ	Spectral mean absolute deviation from Barysz matrix / weighted by atomic number	Barysz Matrix descriptor	2D	11.389
PaDEL	EE_DzZ	Estrada-like index from Barysz matrix / weighted by atomic number	Barysz Matrix descriptor	2D	113.941
PaDEL	SM1_DzZ	Spectral moment of order 1 from Barysz matrix / weighted by atomic number	Barysz Matrix descriptor	2D	1
PaDEL	VE1_DzZ	Coefficient sum of the last eigenvector from Barysz matrix / weighted by atomic number	Barysz Matrix descriptor	2D	0.29
PaDEL	VE2_DzZ	Average coefficient sum of the last eigenvector from Barysz matrix / weighted by atomic number	Barysz Matrix descriptor	2D	0.015
PaDEL	VE3_DzZ	Logarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by atomic number	Barysz Matrix descriptor	2D	-2.474
PaDEL	VR1_DzZ	Randic-like eigenvector-based index from Barysz matrix / weighted by atomic number	Barysz Matrix descriptor	2D	166.17
PaDEL	VR2_DzZ	Normalized Randic-like eigenvector-based index from Barysz matrix / weighted by atomic number	Barysz Matrix descriptor	2D	8.309
PaDEL	VR3_DzZ	Logarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by atomic number	Barysz Matrix descriptor	2D	10.226
PaDEL	SpAbs_Dzm	Graph energy from Barysz matrix / weighted by mass	Barysz Matrix descriptor	2D	226.933
PaDEL	SpMax_Dzm	Leading eigenvalue from Barysz matrix / weighted by mass	Barysz Matrix descriptor	2D	113.965
PaDEL	SpDiam_Dzm	Spectral diameter from Barysz matrix / weighted by mass	Barysz Matrix descriptor	2D	181.675
PaDEL	SpAD_Dzm	Spectral absolute deviation from Barysz matrix / weighted by mass	Barysz Matrix descriptor	2D	227.83
PaDEL	SpMAD_Dzm	Spectral mean absolute deviation from Barysz matrix / weighted by mass	Barysz Matrix descriptor	2D	11.392
PaDEL	EE_Dzm	Estrada-like index from Barysz matrix / weighted by mass	Barysz Matrix descriptor	2D	113.965
PaDEL	SM1_Dzm	Spectral moment of order 1 from Barysz matrix / weighted by mass	Barysz Matrix descriptor	2D	0.997
PaDEL	VE1_Dzm	Coefficient sum of the last eigenvector from Barysz matrix / weighted by mass	Barysz Matrix descriptor	2D	0.29
PaDEL	VE2_Dzm	Average coefficient sum of the last eigenvector from Barysz matrix / weighted by mass	Barysz Matrix descriptor	2D	0.014
PaDEL	VE3_Dzm	Logarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by mass	Barysz Matrix descriptor	2D	-2.476
PaDEL	VR1_Dzm	Randic-like eigenvector-based index from Barysz matrix / weighted by mass	Barysz Matrix descriptor	2D	166.017
PaDEL	VR2_Dzm	Normalized Randic-like eigenvector-based index from Barysz matrix / weighted by mass	Barysz Matrix descriptor	2D	8.301
PaDEL	VR3_Dzm	Logarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by mass	Barysz Matrix descriptor	2D	10.224
PaDEL	SpAbs_Dzv	Graph energy from Barysz matrix / weighted by van der Waals volumes	Barysz Matrix descriptor	2D	272.484
PaDEL	SpMax_Dzv	Leading eigenvalue from Barysz matrix / weighted by van der Waals volumes	Barysz Matrix descriptor	2D	135.444
PaDEL	SpDiam_Dzv	Spectral diameter from Barysz matrix / weighted by van der Waals volumes	Barysz Matrix descriptor	2D	214.54
PaDEL	SpAD_Dzv	Spectral absolute deviation from Barysz matrix / weighted by van der Waals volumes	Barysz Matrix descriptor	2D	271.048
PaDEL	SpMAD_Dzv	Spectral mean absolute deviation from Barysz matrix / weighted by van der Waals volumes	Barysz Matrix descriptor	2D	13.552
PaDEL	EE_Dzv	Estrada-like index from Barysz matrix / weighted by van der Waals volumes	Barysz Matrix descriptor	2D	135.444
PaDEL	SM1_Dzv	Spectral moment of order 1 from Barysz matrix / weighted by van der Waals volumes	Barysz Matrix descriptor	2D	-1.596
PaDEL	VE1_Dzv	Coefficient sum of the last eigenvector from Barysz matrix / weighted by van der Waals volumes	Barysz Matrix descriptor	2D	0.064
PaDEL	VE2_Dzv	Average coefficient sum of the last eigenvector from Barysz matrix / weighted by van der Waals volumes	Barysz Matrix descriptor	2D	0.003
PaDEL	VE3_Dzv	Logarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by van der Waals volumes	Barysz Matrix descriptor	2D	-5.488
PaDEL	VR1_Dzv	Randic-like eigenvector-based index from Barysz matrix / weighted by van der Waals volumes	Barysz Matrix descriptor	2D	173.122
PaDEL	VR2_Dzv	Normalized Randic-like eigenvector-based index from Barysz matrix / weighted by van der Waals volumes	Barysz Matrix descriptor	2D	8.656
PaDEL	VR3_Dzv	Logarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by van der Waals volumes	Barysz Matrix descriptor	2D	10.308
PaDEL	SpAbs_Dze	Graph energy from Barysz matrix / weighted by Sanderson electronegativities	Barysz Matrix descriptor	2D	226.986
PaDEL	SpMax_Dze	Leading eigenvalue from Barysz matrix / weighted by Sanderson electronegativities	Barysz Matrix descriptor	2D	113.99
PaDEL	SpDiam_Dze	Spectral diameter from Barysz matrix / weighted by Sanderson electronegativities	Barysz Matrix descriptor	2D	181.713
PaDEL	SpAD_Dze	Spectral absolute deviation from Barysz matrix / weighted by Sanderson electronegativities	Barysz Matrix descriptor	2D	227.881
PaDEL	SpMAD_Dze	Spectral mean absolute deviation from Barysz matrix / weighted by Sanderson electronegativities	Barysz Matrix descriptor	2D	11.394
PaDEL	EE_Dze	Estrada-like index from Barysz matrix / weighted by Sanderson electronegativities	Barysz Matrix descriptor	2D	113.99
PaDEL	SM1_Dze	Spectral moment of order 1 from Barysz matrix / weighted by Sanderson electronegativities	Barysz Matrix descriptor	2D	0.994
PaDEL	VE1_Dze	Coefficient sum of the last eigenvector from Barysz matrix / weighted by Sanderson electronegativities	Barysz Matrix descriptor	2D	0.29
PaDEL	VE2_Dze	Average coefficient sum of the last eigenvector from Barysz matrix / weighted by Sanderson electronegativities	Barysz Matrix descriptor	2D	0.014
PaDEL	VE3_Dze	Logarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by Sanderson electronegativities	Barysz Matrix descriptor	2D	-2.478
PaDEL	VR1_Dze	Randic-like eigenvector-based index from Barysz matrix / weighted by Sanderson electronegativities	Barysz Matrix descriptor	2D	165.858
PaDEL	VR2_Dze	Normalized Randic-like eigenvector-based index from Barysz matrix / weighted by Sanderson electronegativities	Barysz Matrix descriptor	2D	8.293
PaDEL	VR3_Dze	Logarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by Sanderson electronegativities	Barysz Matrix descriptor	2D	10.222
PaDEL	SpAbs_Dzp	Graph energy from Barysz matrix / weighted by polarizabilities	Barysz Matrix descriptor	2D	321.233
PaDEL	SpMax_Dzp	Leading eigenvalue from Barysz matrix / weighted by polarizabilities	Barysz Matrix descriptor	2D	158.452
PaDEL	SpDiam_Dzp	Spectral diameter from Barysz matrix / weighted by polarizabilities	Barysz Matrix descriptor	2D	251.53
PaDEL	SpAD_Dzp	Spectral absolute deviation from Barysz matrix / weighted by polarizabilities	Barysz Matrix descriptor	2D	317.336
PaDEL	SpMAD_Dzp	Spectral mean absolute deviation from Barysz matrix / weighted by polarizabilities	Barysz Matrix descriptor	2D	15.867
PaDEL	EE_Dzp	Estrada-like index from Barysz matrix / weighted by polarizabilities	Barysz Matrix descriptor	2D	158.452
PaDEL	SM1_Dzp	Spectral moment of order 1 from Barysz matrix / weighted by polarizabilities	Barysz Matrix descriptor	2D	-4.329
PaDEL	VE1_Dzp	Coefficient sum of the last eigenvector from Barysz matrix / weighted by polarizabilities	Barysz Matrix descriptor	2D	0.109
PaDEL	VE2_Dzp	Average coefficient sum of the last eigenvector from Barysz matrix / weighted by polarizabilities	Barysz Matrix descriptor	2D	0.005
PaDEL	VE3_Dzp	Logarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by polarizabilities	Barysz Matrix descriptor	2D	-4.433
PaDEL	VR1_Dzp	Randic-like eigenvector-based index from Barysz matrix / weighted by polarizabilities	Barysz Matrix descriptor	2D	149.557
PaDEL	VR2_Dzp	Normalized Randic-like eigenvector-based index from Barysz matrix / weighted by polarizabilities	Barysz Matrix descriptor	2D	7.478
PaDEL	VR3_Dzp	Logarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by polarizabilities	Barysz Matrix descriptor	2D	10.015
PaDEL	SpAbs_Dzi	Graph energy from Barysz matrix / weighted by first ionization potential	Barysz Matrix descriptor	2D	232.235
PaDEL	SpMax_Dzi	Leading eigenvalue from Barysz matrix / weighted by first ionization potential	Barysz Matrix descriptor	2D	116.464
PaDEL	SpDiam_Dzi	Spectral diameter from Barysz matrix / weighted by first ionization potential	Barysz Matrix descriptor	2D	185.388
PaDEL	SpAD_Dzi	Spectral absolute deviation from Barysz matrix / weighted by first ionization potential	Barysz Matrix descriptor	2D	232.858
PaDEL	SpMAD_Dzi	Spectral mean absolute deviation from Barysz matrix / weighted by first ionization potential	Barysz Matrix descriptor	2D	11.643
PaDEL	EE_Dzi	Estrada-like index from Barysz matrix / weighted by first ionization potential	Barysz Matrix descriptor	2D	116.464
PaDEL	SM1_Dzi	Spectral moment of order 1 from Barysz matrix / weighted by first ionization potential	Barysz Matrix descriptor	2D	0.693
PaDEL	VE1_Dzi	Coefficient sum of the last eigenvector from Barysz matrix / weighted by first ionization potential	Barysz Matrix descriptor	2D	0.26
PaDEL	VE2_Dzi	Average coefficient sum of the last eigenvector from Barysz matrix / weighted by first ionization potential	Barysz Matrix descriptor	2D	0.013
PaDEL	VE3_Dzi	Logarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by first ionization potential	Barysz Matrix descriptor	2D	-2.693
PaDEL	VR1_Dzi	Randic-like eigenvector-based index from Barysz matrix / weighted by first ionization potential	Barysz Matrix descriptor	2D	156.217
PaDEL	VR2_Dzi	Normalized Randic-like eigenvector-based index from Barysz matrix / weighted by first ionization potential	Barysz Matrix descriptor	2D	7.811
PaDEL	VR3_Dzi	Logarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by first ionization potential	Barysz Matrix descriptor	2D	10.102
PaDEL	SpAbs_Dzs	Graph energy from Barysz matrix / weighted by I-state	Barysz Matrix descriptor	2D	245.597
PaDEL	SpMax_Dzs	Leading eigenvalue from Barysz matrix / weighted by I-state	Barysz Matrix descriptor	2D	123.107
PaDEL	SpDiam_Dzs	Spectral diameter from Barysz matrix / weighted by I-state	Barysz Matrix descriptor	2D	200.706
PaDEL	SpAD_Dzs	Spectral absolute deviation from Barysz matrix / weighted by I-state	Barysz Matrix descriptor	2D	246.873
PaDEL	SpMAD_Dzs	Spectral mean absolute deviation from Barysz matrix / weighted by I-state	Barysz Matrix descriptor	2D	12.344
PaDEL	EE_Dzs	Estrada-like index from Barysz matrix / weighted by I-state	Barysz Matrix descriptor	2D	123.107
PaDEL	SM1_Dzs	Spectral moment of order 1 from Barysz matrix / weighted by I-state	Barysz Matrix descriptor	2D	2.015
PaDEL	VE1_Dzs	Coefficient sum of the last eigenvector from Barysz matrix / weighted by I-state	Barysz Matrix descriptor	2D	0.481
PaDEL	VE2_Dzs	Average coefficient sum of the last eigenvector from Barysz matrix / weighted by I-state	Barysz Matrix descriptor	2D	0.024
PaDEL	VE3_Dzs	Logarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by I-state	Barysz Matrix descriptor	2D	-1.463
PaDEL	VR1_Dzs	Randic-like eigenvector-based index from Barysz matrix / weighted by I-state	Barysz Matrix descriptor	2D	142.663
PaDEL	VR2_Dzs	Normalized Randic-like eigenvector-based index from Barysz matrix / weighted by I-state	Barysz Matrix descriptor	2D	7.133
PaDEL	VR3_Dzs	Logarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by I-state	Barysz Matrix descriptor	2D	9.921
PaDEL	nBase	Number of basic groups. The list of basic groups is defined by this SMARTS [$([NH2]-[CX4])], [$([NH](-[CX4])-[CX4])], [$(N(-[CX4])(-[CX4])-[CX4])], [$([*;+;!$(*~[*;-])])], [$(N=C-N)], and [$(N-C=N)] originally presented in JOELib	Basic Group Count descriptor	2D	0
PaDEL	BCUTw-1l	nhigh lowest atom weighted BCUTS	BCUT descriptor	2D	11.79
PaDEL	BCUTw-1h	nlow highest atom weighted BCUTS	BCUT descriptor	2D	15.998
PaDEL	BCUTc-1l	nhigh lowest partial charge weighted BCUTS	BCUT descriptor	2D	-0.308
PaDEL	BCUTc-1h	nlow highest partial charge weighted BCUTS	BCUT descriptor	2D	0.36
PaDEL	BCUTp-1l	nhigh lowest polarizability weighted BCUTS	BCUT descriptor	2D	4.177
PaDEL	BCUTp-1h	nlow highest polarizability weighted BCUTS	BCUT descriptor	2D	7.554
PaDEL	nBonds	Number of bonds	PaDEL Bond Count descriptor	2D	19
PaDEL	nBonds2	Total number of bonds (including bonds to hydrogens)	PaDEL Bond Count descriptor	2D	47
PaDEL	nBondsS	Number of single bonds (including bonds with hydrogen)	PaDEL Bond Count descriptor	2D	44
PaDEL	nBondsS2	Total number of single bonds	PaDEL Bond Count descriptor	2D	44
PaDEL	nBondsS3	Total number of single bonds	PaDEL Bond Count descriptor	2D	16
PaDEL	nBondsD	Number of double bonds	PaDEL Bond Count descriptor	2D	3
PaDEL	nBondsD2	Total number of double bonds	PaDEL Bond Count descriptor	2D	3
PaDEL	nBondsT	Number of triple bonds	PaDEL Bond Count descriptor	2D	0
PaDEL	nBondsQ	Number of quadruple bonds	PaDEL Bond Count descriptor	2D	0
PaDEL	nBondsM	Total number of bonds that have bond order greater than one (aromatic bonds have bond order 1.5).	PaDEL Bond Count descriptor	2D	3
PaDEL	bpol	Sum of the absolute value of the difference between atomic polarizabilities of all bonded atoms in the molecule (including implicit hydrogens)	BPol descriptor	2D	36.358
PaDEL	SpMax1_Bhm	Largest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative mass	Burden Modified Eigen values descriptor	2D	3.637
PaDEL	SpMax2_Bhm	Largest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative mass	Burden Modified Eigen values descriptor	2D	3.518
PaDEL	SpMax3_Bhm	Largest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative mass	Burden Modified Eigen values descriptor	2D	3.386
PaDEL	SpMax4_Bhm	Largest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative mass	Burden Modified Eigen values descriptor	2D	3.286
PaDEL	SpMax5_Bhm	Largest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative mass	Burden Modified Eigen values descriptor	2D	3.137
PaDEL	SpMax6_Bhm	Largest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative mass	Burden Modified Eigen values descriptor	2D	2.884
PaDEL	SpMax7_Bhm	Largest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative mass	Burden Modified Eigen values descriptor	2D	2.669
PaDEL	SpMax8_Bhm	Largest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative mass	Burden Modified Eigen values descriptor	2D	2.467
PaDEL	SpMin1_Bhm	Smallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative mass	Burden Modified Eigen values descriptor	2D	1.936
PaDEL	SpMin2_Bhm	Smallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative mass	Burden Modified Eigen values descriptor	2D	1.831
PaDEL	SpMin3_Bhm	Smallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative mass	Burden Modified Eigen values descriptor	2D	1.703
PaDEL	SpMin4_Bhm	Smallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative mass	Burden Modified Eigen values descriptor	2D	1.666
PaDEL	SpMin5_Bhm	Smallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative mass	Burden Modified Eigen values descriptor	2D	1.471
PaDEL	SpMin6_Bhm	Smallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative mass	Burden Modified Eigen values descriptor	2D	1.315
PaDEL	SpMin7_Bhm	Smallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative mass	Burden Modified Eigen values descriptor	2D	1.204
PaDEL	SpMin8_Bhm	Smallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative mass	Burden Modified Eigen values descriptor	2D	1.035
PaDEL	SpMax1_Bhv	Largest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative van der Waals volumes	Burden Modified Eigen values descriptor	2D	3.556
PaDEL	SpMax2_Bhv	Largest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative van der Waals volumes	Burden Modified Eigen values descriptor	2D	3.457
PaDEL	SpMax3_Bhv	Largest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative van der Waals volumes	Burden Modified Eigen values descriptor	2D	3.389
PaDEL	SpMax4_Bhv	Largest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative van der Waals volumes	Burden Modified Eigen values descriptor	2D	3.254
PaDEL	SpMax5_Bhv	Largest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative van der Waals volumes	Burden Modified Eigen values descriptor	2D	3.14
PaDEL	SpMax6_Bhv	Largest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative van der Waals volumes	Burden Modified Eigen values descriptor	2D	2.877
PaDEL	SpMax7_Bhv	Largest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative van der Waals volumes	Burden Modified Eigen values descriptor	2D	2.574
PaDEL	SpMax8_Bhv	Largest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative van der Waals volumes	Burden Modified Eigen values descriptor	2D	2.402
PaDEL	SpMin1_Bhv	Smallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative van der Waals volumes	Burden Modified Eigen values descriptor	2D	1.88
PaDEL	SpMin2_Bhv	Smallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative van der Waals volumes	Burden Modified Eigen values descriptor	2D	1.782
PaDEL	SpMin3_Bhv	Smallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative van der Waals volumes	Burden Modified Eigen values descriptor	2D	1.707
PaDEL	SpMin4_Bhv	Smallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative van der Waals volumes	Burden Modified Eigen values descriptor	2D	1.613
PaDEL	SpMin5_Bhv	Smallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative van der Waals volumes	Burden Modified Eigen values descriptor	2D	1.483
PaDEL	SpMin6_Bhv	Smallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative van der Waals volumes	Burden Modified Eigen values descriptor	2D	1.345
PaDEL	SpMin7_Bhv	Smallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative van der Waals volumes	Burden Modified Eigen values descriptor	2D	1.138
PaDEL	SpMin8_Bhv	Smallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative van der Waals volumes	Burden Modified Eigen values descriptor	2D	0.977
PaDEL	SpMax1_Bhe	Largest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative Sanderson electronegativities	Burden Modified Eigen values descriptor	2D	3.696
PaDEL	SpMax2_Bhe	Largest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative Sanderson electronegativities	Burden Modified Eigen values descriptor	2D	3.645
PaDEL	SpMax3_Bhe	Largest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative Sanderson electronegativities	Burden Modified Eigen values descriptor	2D	3.539
PaDEL	SpMax4_Bhe	Largest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative Sanderson electronegativities	Burden Modified Eigen values descriptor	2D	3.415
PaDEL	SpMax5_Bhe	Largest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative Sanderson electronegativities	Burden Modified Eigen values descriptor	2D	3.305
PaDEL	SpMax6_Bhe	Largest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative Sanderson electronegativities	Burden Modified Eigen values descriptor	2D	3.08
PaDEL	SpMax7_Bhe	Largest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative Sanderson electronegativities	Burden Modified Eigen values descriptor	2D	2.836
PaDEL	SpMax8_Bhe	Largest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative Sanderson electronegativities	Burden Modified Eigen values descriptor	2D	2.691
PaDEL	SpMin1_Bhe	Smallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative Sanderson electronegativities	Burden Modified Eigen values descriptor	2D	1.701
PaDEL	SpMin2_Bhe	Smallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative Sanderson electronegativities	Burden Modified Eigen values descriptor	2D	1.58
PaDEL	SpMin3_Bhe	Smallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative Sanderson electronegativities	Burden Modified Eigen values descriptor	2D	1.501
PaDEL	SpMin4_Bhe	Smallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative Sanderson electronegativities	Burden Modified Eigen values descriptor	2D	1.389
PaDEL	SpMin5_Bhe	Smallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative Sanderson electronegativities	Burden Modified Eigen values descriptor	2D	1.256
PaDEL	SpMin6_Bhe	Smallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative Sanderson electronegativities	Burden Modified Eigen values descriptor	2D	1.083
PaDEL	SpMin7_Bhe	Smallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative Sanderson electronegativities	Burden Modified Eigen values descriptor	2D	0.82
PaDEL	SpMin8_Bhe	Smallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative Sanderson electronegativities	Burden Modified Eigen values descriptor	2D	0.622
PaDEL	SpMax1_Bhp	Largest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative polarizabilities	Burden Modified Eigen values descriptor	2D	3.574
PaDEL	SpMax2_Bhp	Largest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative polarizabilities	Burden Modified Eigen values descriptor	2D	3.447
PaDEL	SpMax3_Bhp	Largest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative polarizabilities	Burden Modified Eigen values descriptor	2D	3.387
PaDEL	SpMax4_Bhp	Largest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative polarizabilities	Burden Modified Eigen values descriptor	2D	3.249
PaDEL	SpMax5_Bhp	Largest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative polarizabilities	Burden Modified Eigen values descriptor	2D	3.141
PaDEL	SpMax6_Bhp	Largest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative polarizabilities	Burden Modified Eigen values descriptor	2D	2.899
PaDEL	SpMax7_Bhp	Largest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative polarizabilities	Burden Modified Eigen values descriptor	2D	2.592
PaDEL	SpMax8_Bhp	Largest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative polarizabilities	Burden Modified Eigen values descriptor	2D	2.391
PaDEL	SpMin1_Bhp	Smallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative polarizabilities	Burden Modified Eigen values descriptor	2D	1.847
PaDEL	SpMin2_Bhp	Smallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative polarizabilities	Burden Modified Eigen values descriptor	2D	1.779
PaDEL	SpMin3_Bhp	Smallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative polarizabilities	Burden Modified Eigen values descriptor	2D	1.706
PaDEL	SpMin4_Bhp	Smallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative polarizabilities	Burden Modified Eigen values descriptor	2D	1.586
PaDEL	SpMin5_Bhp	Smallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative polarizabilities	Burden Modified Eigen values descriptor	2D	1.483
PaDEL	SpMin6_Bhp	Smallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative polarizabilities	Burden Modified Eigen values descriptor	2D	1.31
PaDEL	SpMin7_Bhp	Smallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative polarizabilities	Burden Modified Eigen values descriptor	2D	1.095
PaDEL	SpMin8_Bhp	Smallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative polarizabilities	Burden Modified Eigen values descriptor	2D	0.952
PaDEL	SpMax1_Bhi	Largest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative first ionization potential	Burden Modified Eigen values descriptor	2D	3.741
PaDEL	SpMax2_Bhi	Largest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative first ionization potential	Burden Modified Eigen values descriptor	2D	3.656
PaDEL	SpMax3_Bhi	Largest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative first ionization potential	Burden Modified Eigen values descriptor	2D	3.588
PaDEL	SpMax4_Bhi	Largest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative first ionization potential	Burden Modified Eigen values descriptor	2D	3.46
PaDEL	SpMax5_Bhi	Largest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative first ionization potential	Burden Modified Eigen values descriptor	2D	3.356
PaDEL	SpMax6_Bhi	Largest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative first ionization potential	Burden Modified Eigen values descriptor	2D	3.155
PaDEL	SpMax7_Bhi	Largest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative first ionization potential	Burden Modified Eigen values descriptor	2D	2.909
PaDEL	SpMax8_Bhi	Largest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative first ionization potential	Burden Modified Eigen values descriptor	2D	2.753
PaDEL	SpMin1_Bhi	Smallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative first ionization potential	Burden Modified Eigen values descriptor	2D	1.647
PaDEL	SpMin2_Bhi	Smallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative first ionization potential	Burden Modified Eigen values descriptor	2D	1.533
PaDEL	SpMin3_Bhi	Smallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative first ionization potential	Burden Modified Eigen values descriptor	2D	1.472
PaDEL	SpMin4_Bhi	Smallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative first ionization potential	Burden Modified Eigen values descriptor	2D	1.34
PaDEL	SpMin5_Bhi	Smallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative first ionization potential	Burden Modified Eigen values descriptor	2D	1.232
PaDEL	SpMin6_Bhi	Smallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative first ionization potential	Burden Modified Eigen values descriptor	2D	1.011
PaDEL	SpMin7_Bhi	Smallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative first ionization potential	Burden Modified Eigen values descriptor	2D	0.731
PaDEL	SpMin8_Bhi	Smallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative first ionization potential	Burden Modified Eigen values descriptor	2D	0.549
PaDEL	SpMax1_Bhs	Largest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative I-state	Burden Modified Eigen values descriptor	2D	5.035
PaDEL	SpMax2_Bhs	Largest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative I-state	Burden Modified Eigen values descriptor	2D	4.71
PaDEL	SpMax3_Bhs	Largest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative I-state	Burden Modified Eigen values descriptor	2D	3.72
PaDEL	SpMax4_Bhs	Largest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative I-state	Burden Modified Eigen values descriptor	2D	3.538
PaDEL	SpMax5_Bhs	Largest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative I-state	Burden Modified Eigen values descriptor	2D	3.444
PaDEL	SpMax6_Bhs	Largest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative I-state	Burden Modified Eigen values descriptor	2D	3.273
PaDEL	SpMax7_Bhs	Largest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative I-state	Burden Modified Eigen values descriptor	2D	3.037
PaDEL	SpMax8_Bhs	Largest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative I-state	Burden Modified Eigen values descriptor	2D	2.998
PaDEL	SpMin1_Bhs	Smallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative I-state	Burden Modified Eigen values descriptor	2D	1.858
PaDEL	SpMin2_Bhs	Smallest absolute eigenvalue of Burden modified matrix - n 2 / weighted by relative I-state	Burden Modified Eigen values descriptor	2D	1.722
PaDEL	SpMin3_Bhs	Smallest absolute eigenvalue of Burden modified matrix - n 3 / weighted by relative I-state	Burden Modified Eigen values descriptor	2D	1.517
PaDEL	SpMin4_Bhs	Smallest absolute eigenvalue of Burden modified matrix - n 4 / weighted by relative I-state	Burden Modified Eigen values descriptor	2D	1.375
PaDEL	SpMin5_Bhs	Smallest absolute eigenvalue of Burden modified matrix - n 5 / weighted by relative I-state	Burden Modified Eigen values descriptor	2D	1.267
PaDEL	SpMin6_Bhs	Smallest absolute eigenvalue of Burden modified matrix - n 6 / weighted by relative I-state	Burden Modified Eigen values descriptor	2D	1.011
PaDEL	SpMin7_Bhs	Smallest absolute eigenvalue of Burden modified matrix - n 7 / weighted by relative I-state	Burden Modified Eigen values descriptor	2D	0.834
PaDEL	SpMin8_Bhs	Smallest absolute eigenvalue of Burden modified matrix - n 8 / weighted by relative I-state	Burden Modified Eigen values descriptor	2D	0.717
PaDEL	C1SP1	Triply bound carbon bound to one other carbon	PaDEL Carbon Types descriptor	2D	0
PaDEL	C2SP1	Triply bound carbon bound to two other carbons	PaDEL Carbon Types descriptor	2D	0
PaDEL	C1SP2	Doubly bound carbon bound to one other carbon	PaDEL Carbon Types descriptor	2D	3
PaDEL	C2SP2	Doubly bound carbon bound to two other carbons	PaDEL Carbon Types descriptor	2D	1
PaDEL	C3SP2	Doubly bound carbon bound to three other carbons	PaDEL Carbon Types descriptor	2D	0
PaDEL	C1SP3	Singly bound carbon bound to one other carbon	PaDEL Carbon Types descriptor	2D	3
PaDEL	C2SP3	Singly bound carbon bound to two other carbons	PaDEL Carbon Types descriptor	2D	9
PaDEL	C3SP3	Singly bound carbon bound to three other carbons	PaDEL Carbon Types descriptor	2D	0
PaDEL	C4SP3	Singly bound carbon bound to four other carbons	PaDEL Carbon Types descriptor	2D	0
PaDEL	SCH-3	Simple chain, order 3	ChiChain descriptor	2D	0
PaDEL	SCH-4	Simple chain, order 4	ChiChain descriptor	2D	0
PaDEL	SCH-5	Simple chain, order 5	ChiChain descriptor	2D	0
PaDEL	SCH-6	Simple chain, order 6	ChiChain descriptor	2D	0
PaDEL	SCH-7	Simple chain, order 7	ChiChain descriptor	2D	0
PaDEL	VCH-3	Valence chain, order 3	ChiChain descriptor	2D	0
PaDEL	VCH-4	Valence chain, order 4	ChiChain descriptor	2D	0
PaDEL	VCH-5	Valence chain, order 5	ChiChain descriptor	2D	0
PaDEL	VCH-6	Valence chain, order 6	ChiChain descriptor	2D	0
PaDEL	VCH-7	Valence chain, order 7	ChiChain descriptor	2D	0
PaDEL	SC-3	Simple cluster, order 3	ChiCluster descriptor	2D	0.471
PaDEL	SC-4	Simple cluster, order 4	ChiCluster descriptor	2D	0
PaDEL	SC-5	Simple cluster, order 5	ChiCluster descriptor	2D	0.167
PaDEL	SC-6	Simple cluster, order 6	ChiCluster descriptor	2D	0
PaDEL	VC-3	Valence cluster, order 3	ChiCluster descriptor	2D	0.083
PaDEL	VC-4	Valence cluster, order 4	ChiCluster descriptor	2D	0
PaDEL	VC-5	Valence cluster, order 5	ChiCluster descriptor	2D	0.007
PaDEL	VC-6	Valence cluster, order 6	ChiCluster descriptor	2D	0
PaDEL	SPC-4	Simple path cluster, order 4	ChiPathCluster descriptor	2D	1.138
PaDEL	SPC-5	Simple path cluster, order 5	ChiPathCluster descriptor	2D	1.04
PaDEL	SPC-6	Simple path cluster, order 6	ChiPathCluster descriptor	2D	1.173
PaDEL	VPC-4	Valence path cluster, order 4	ChiPathCluster descriptor	2D	0.127
PaDEL	VPC-5	Valence path cluster, order 5	ChiPathCluster descriptor	2D	0.11
PaDEL	VPC-6	Valence path cluster, order 6	ChiPathCluster descriptor	2D	0.1
PaDEL	SP-0	Simple path, order 0	PaDEL ChiPath descriptor	2D	15.054
PaDEL	SP-1	Simple path, order 1	PaDEL ChiPath descriptor	2D	9.719
PaDEL	SP-2	Simple path, order 2	PaDEL ChiPath descriptor	2D	7.067
PaDEL	SP-3	Simple path, order 3	PaDEL ChiPath descriptor	2D	4.997
PaDEL	SP-4	Simple path, order 4	PaDEL ChiPath descriptor	2D	3.049
PaDEL	SP-5	Simple path, order 5	PaDEL ChiPath descriptor	2D	2.064
PaDEL	SP-6	Simple path, order 6	PaDEL ChiPath descriptor	2D	1.261
PaDEL	SP-7	Simple path, order 7	PaDEL ChiPath descriptor	2D	0.746
PaDEL	ASP-0	Average simple path, order 0	PaDEL ChiPath descriptor	2D	0.753
PaDEL	ASP-1	Average simple path, order 1	PaDEL ChiPath descriptor	2D	0.512
PaDEL	ASP-2	Average simple path, order 2	PaDEL ChiPath descriptor	2D	0.353
PaDEL	ASP-3	Average simple path, order 3	PaDEL ChiPath descriptor	2D	0.25
PaDEL	ASP-4	Average simple path, order 4	PaDEL ChiPath descriptor	2D	0.169
PaDEL	ASP-5	Average simple path, order 5	PaDEL ChiPath descriptor	2D	0.121
PaDEL	ASP-6	Average simple path, order 6	PaDEL ChiPath descriptor	2D	0.084
PaDEL	ASP-7	Average simple path, order 7	PaDEL ChiPath descriptor	2D	0.057
PaDEL	VP-0	Valence path, order 0	PaDEL ChiPath descriptor	2D	12.696
PaDEL	VP-1	Valence path, order 1	PaDEL ChiPath descriptor	2D	7.667
PaDEL	VP-2	Valence path, order 2	PaDEL ChiPath descriptor	2D	4.851
PaDEL	VP-3	Valence path, order 3	PaDEL ChiPath descriptor	2D	2.98
PaDEL	VP-4	Valence path, order 4	PaDEL ChiPath descriptor	2D	1.83
PaDEL	VP-5	Valence path, order 5	PaDEL ChiPath descriptor	2D	1.141
PaDEL	VP-6	Valence path, order 6	PaDEL ChiPath descriptor	2D	0.692
PaDEL	VP-7	Valence path, order 7	PaDEL ChiPath descriptor	2D	0.419
PaDEL	AVP-0	Average valence path, order 0	PaDEL ChiPath descriptor	2D	0.635
PaDEL	AVP-1	Average valence path, order 1	PaDEL ChiPath descriptor	2D	0.404
PaDEL	AVP-2	Average valence path, order 2	PaDEL ChiPath descriptor	2D	0.243
PaDEL	AVP-3	Average valence path, order 3	PaDEL ChiPath descriptor	2D	0.149
PaDEL	AVP-4	Average valence path, order 4	PaDEL ChiPath descriptor	2D	0.102
PaDEL	AVP-5	Average valence path, order 5	PaDEL ChiPath descriptor	2D	0.067
PaDEL	AVP-6	Average valence path, order 6	PaDEL ChiPath descriptor	2D	0.046
PaDEL	AVP-7	Average valence path, order 7	PaDEL ChiPath descriptor	2D	0.032
PaDEL	Sv	Sum of atomic van der Waals volumes (scaled on carbon atom)	Constitutional descriptor	2D	26.445
PaDEL	Sse	Sum of atomic Sanderson electronegativities (scaled on carbon atom)	Constitutional descriptor	2D	47.752
PaDEL	Spe	Sum of atomic Pauling electronegativities (scaled on carbon atom)	Constitutional descriptor	2D	45.553
PaDEL	Sare	Sum of atomic Allred-Rochow electronegativities (scaled on carbon atom)	Constitutional descriptor	2D	46.24
PaDEL	Sp	Sum of atomic polarizabilities (scaled on carbon atom)	Constitutional descriptor	2D	29.101
PaDEL	Si	Sum of first first ionization potentials (scaled on carbon atom)	Constitutional descriptor	2D	368.499
PaDEL	Mv	Mean atomic van der Waals volumes (scaled on carbon atom)	Constitutional descriptor	2D	0.551
PaDEL	Mse	Mean atomic Sanderson electronegativities (scaled on carbon atom)	Constitutional descriptor	2D	0.995
PaDEL	Mpe	Mean atomic Pauling electronegativities (scaled on carbon atom)	Constitutional descriptor	2D	0.949
PaDEL	Mare	Mean atomic Allred-Rochow electronegativities (scaled on carbon atom)	Constitutional descriptor	2D	0.963
PaDEL	Mp	Mean atomic polarizabilities (scaled on carbon atom)	Constitutional descriptor	2D	0.606
PaDEL	Mi	Mean first first ionization potentials (scaled on carbon atom)	Constitutional descriptor	2D	7.677
PaDEL	CrippenLogP	Crippen's LogP	Crippen descriptor	2D	4.184
PaDEL	CrippenMR	Crippen's molar refractivity	Crippen descriptor	2D	85.558
PaDEL	SpMax_Dt	Leading eigenvalue from detour matrix	Detour Matrix descriptor	2D	125.152
PaDEL	SpDiam_Dt	Spectral diameter from detour matrix	Detour Matrix descriptor	2D	197.011
PaDEL	SpAD_Dt	Spectral absolute deviation from detour matrix	Detour Matrix descriptor	2D	250.304
PaDEL	SpMAD_Dt	Spectral mean absolute deviation from detour matrix	Detour Matrix descriptor	2D	12.515
PaDEL	EE_Dt	Estrada-like index from detour matrix	Detour Matrix descriptor	2D	125.152
PaDEL	VE1_Dt	Coefficient sum of the last eigenvector from detour matrix	Detour Matrix descriptor	2D	0.158
PaDEL	VE2_Dt	Average coefficient sum of the last eigenvector from detour matrix	Detour Matrix descriptor	2D	0.008
PaDEL	VE3_Dt	Logarithmic coefficient sum of the last eigenvector from detour matrix	Detour Matrix descriptor	2D	-3.685
PaDEL	VR1_Dt	Randic-like eigenvector-based index from detour matrix	Detour Matrix descriptor	2D	160.799
PaDEL	VR2_Dt	Normalized Randic-like eigenvector-based index from detour matrix	Detour Matrix descriptor	2D	8.04
PaDEL	VR3_Dt	Logarithmic Randic-like eigenvector-based index from detour matrix	Detour Matrix descriptor	2D	10.16
PaDEL	ECCEN	A topological descriptor combining distance and adjacency information	Eccentric Connectivity Index descriptor	2D	486
PaDEL	nHBd	Count of E-States for (strong) Hydrogen Bond donors	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nwHBd	Count of E-States for weak Hydrogen Bond donors	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nHBa	Count of E-States for (strong) Hydrogen Bond acceptors	Electrotopological State Atom Type descriptor	2D	4
PaDEL	nwHBa	Count of E-States for weak Hydrogen Bond acceptors	Electrotopological State Atom Type descriptor	2D	4
PaDEL	nHBint2	Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nHBint3	Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 3	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nHBint4	Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 4	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nHBint5	Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 5	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nHBint6	Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 6	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nHBint7	Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 7	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nHBint8	Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 8	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nHBint9	Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 9	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nHBint10	Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 10	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nHsOH	Count of atom-type H E-State: -OH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nHdNH	Count of atom-type H E-State: =NH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nHsSH	Count of atom-type H E-State: -SH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nHsNH2	Count of atom-type H E-State: -NH2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nHssNH	Count of atom-type H E-State: -NH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nHaaNH	Count of atom-type H E-State: :NH:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nHsNH3p	Count of atom-type H E-State: -NH3+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nHssNH2p	Count of atom-type H E-State: -NH2-+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nHsssNHp	Count of atom-type H E-State: >NH-+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nHtCH	Count of atom-type H E-State: #CH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nHdCH2	Count of atom-type H E-State: =CH2	Electrotopological State Atom Type descriptor	2D	1
PaDEL	nHdsCH	Count of atom-type H E-State: =CH-	Electrotopological State Atom Type descriptor	2D	1
PaDEL	nHaaCH	Count of atom-type H E-State: :CH:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nHCHnX	Count of atom-type H E-State: CHnX	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nHCsats	Count of atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or Pb	Electrotopological State Atom Type descriptor	2D	11
PaDEL	nHCsatu	Count of atom-type H E-State: H on C sp3 bonded to unsaturated C	Electrotopological State Atom Type descriptor	2D	1
PaDEL	nHAvin	Count of atom-type H E-State: H on C vinyl bonded to C aromatic	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nHother	Count of atom-type H E-State: H on aaCH, dCH2 or dsCH	Electrotopological State Atom Type descriptor	2D	2
PaDEL	nHmisc	Count of atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or Pb	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsLi	Count of atom-type E-State: -Li	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nssBe	Count of atom-type E-State: -Be-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nssssBem	Count of atom-type E-State: >Be<-2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsBH2	Count of atom-type E-State: -BH2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nssBH	Count of atom-type E-State: -BH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsssB	Count of atom-type E-State: -B<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nssssBm	Count of atom-type E-State: >B<-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsCH3	Count of atom-type E-State: -CH3	Electrotopological State Atom Type descriptor	2D	1
PaDEL	ndCH2	Count of atom-type E-State: =CH2	Electrotopological State Atom Type descriptor	2D	1
PaDEL	nssCH2	Count of atom-type E-State: -CH2-	Electrotopological State Atom Type descriptor	2D	11
PaDEL	ntCH	Count of atom-type E-State: #CH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	ndsCH	Count of atom-type E-State: =CH-	Electrotopological State Atom Type descriptor	2D	1
PaDEL	naaCH	Count of atom-type E-State: :CH:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsssCH	Count of atom-type E-State: >CH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nddC	Count of atom-type E-State: =C=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	ntsC	Count of atom-type E-State: #C-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	ndssC	Count of atom-type E-State: =C<	Electrotopological State Atom Type descriptor	2D	2
PaDEL	naasC	Count of atom-type E-State: :C:-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	naaaC	Count of atom-type E-State: ::C:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nssssC	Count of atom-type E-State: >C<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsNH3p	Count of atom-type E-State: -NH3+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsNH2	Count of atom-type E-State: -NH2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nssNH2p	Count of atom-type E-State: -NH2-+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	ndNH	Count of atom-type E-State: =NH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nssNH	Count of atom-type E-State: -NH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	naaNH	Count of atom-type E-State: :NH:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	ntN	Count of atom-type E-State: #N	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsssNHp	Count of atom-type E-State: >NH-+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	ndsN	Count of atom-type E-State: =N-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	naaN	Count of atom-type E-State: :N:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsssN	Count of atom-type E-State: >N-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nddsN	Count of atom-type E-State: -N<<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	naasN	Count of atom-type E-State: :N:-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nssssNp	Count of atom-type E-State: >N<+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsOH	Count of atom-type E-State: -OH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	ndO	Count of atom-type E-State: =O	Electrotopological State Atom Type descriptor	2D	2
PaDEL	nssO	Count of atom-type E-State: -O-	Electrotopological State Atom Type descriptor	2D	2
PaDEL	naaO	Count of atom-type E-State: :O:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	naOm	Count of atom-type E-State: :O-0.5	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsOm	Count of atom-type E-State: -O-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsF	Count of atom-type E-State: -F	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsSiH3	Count of atom-type E-State: -SiH3	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nssSiH2	Count of atom-type E-State: -SiH2-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsssSiH	Count of atom-type E-State: >SiH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nssssSi	Count of atom-type E-State: >Si<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsPH2	Count of atom-type E-State: -PH2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nssPH	Count of atom-type E-State: -PH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsssP	Count of atom-type E-State: >P-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	ndsssP	Count of atom-type E-State: ->P=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nddsP	Count of atom-type E-State: -=P=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsssssP	Count of atom-type E-State: ->P<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsSH	Count of atom-type E-State: -SH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	ndS	Count of atom-type E-State: =S	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nssS	Count of atom-type E-State: -S-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	naaS	Count of atom-type E-State: aSa	Electrotopological State Atom Type descriptor	2D	0
PaDEL	ndssS	Count of atom-type E-State: >S=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nddssS	Count of atom-type E-State: >S==	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nssssssS	Count of atom-type E-State: >S<<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nSm	Count of atom-type E-State: -S-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsCl	Count of atom-type E-State: -Cl	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsGeH3	Count of atom-type E-State: -GeH3	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nssGeH2	Count of atom-type E-State: -GeH2-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsssGeH	Count of atom-type E-State: >GeH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nssssGe	Count of atom-type E-State: >Ge<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsAsH2	Count of atom-type E-State: -AsH2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nssAsH	Count of atom-type E-State: -AsH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsssAs	Count of atom-type E-State: >As-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	ndsssAs	Count of atom-type E-State: ->As=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nddsAs	Count of atom-type E-State: -=As=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsssssAs	Count of atom-type E-State: ->As<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsSeH	Count of atom-type E-State: -SeH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	ndSe	Count of atom-type E-State: =Se	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nssSe	Count of atom-type E-State: -Se-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	naaSe	Count of atom-type E-State: aSea	Electrotopological State Atom Type descriptor	2D	0
PaDEL	ndssSe	Count of atom-type E-State: >Se=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nssssssSe	Count of atom-type E-State: >Se<<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nddssSe	Count of atom-type E-State: -=Se=-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsBr	Count of atom-type E-State: -Br	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsSnH3	Count of atom-type E-State: -SnH3	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nssSnH2	Count of atom-type E-State: -SnH2-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsssSnH	Count of atom-type E-State: >SnH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nssssSn	Count of atom-type E-State: >Sn<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsI	Count of atom-type E-State: -I	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsPbH3	Count of atom-type E-State: -PbH3	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nssPbH2	Count of atom-type E-State: -PbH2-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nsssPbH	Count of atom-type E-State: >PbH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	nssssPb	Count of atom-type E-State: >Pb<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SHBd	Sum of E-States for (strong) hydrogen bond donors	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SwHBd	Sum of E-States for weak hydrogen bond donors	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SHBa	Sum of E-States for (strong) hydrogen bond acceptors	Electrotopological State Atom Type descriptor	2D	31.579
PaDEL	SwHBa	Sum of E-States for weak hydrogen bond acceptors	Electrotopological State Atom Type descriptor	2D	2.944
PaDEL	SHBint2	Sum of E-State descriptors of strength for potential hydrogen bonds of path length 2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SHBint3	Sum of E-State descriptors of strength for potential hydrogen bonds of path length 3	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SHBint4	Sum of E-State descriptors of strength for potential hydrogen bonds of path length 4	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SHBint5	Sum of E-State descriptors of strength for potential hydrogen bonds of path length 5	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SHBint6	Sum of E-State descriptors of strength for potential hydrogen bonds of path length 6	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SHBint7	Sum of E-State descriptors of strength for potential hydrogen bonds of path length 7	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SHBint8	Sum of E-State descriptors of strength for potential hydrogen bonds of path length 8	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SHBint9	Sum of E-State descriptors of strength for potential hydrogen bonds of path length 9	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SHBint10	Sum of E-State descriptors of strength for potential hydrogen bonds of path length 10	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SHsOH	Sum of atom-type H E-State: -OH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SHdNH	Sum of atom-type H E-State: =NH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SHsSH	Sum of atom-type H E-State: -SH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SHsNH2	Sum of atom-type H E-State: -NH2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SHssNH	Sum of atom-type H E-State: -NH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SHaaNH	Sum of atom-type H E-State: :NH:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SHsNH3p	Sum of atom-type H E-State: -NH3+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SHssNH2p	Sum of atom-type H E-State: -NH2-+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SHsssNHp	Sum of atom-type H E-State: >NH-+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SHtCH	Sum of atom-type H E-State: #CH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SHdCH2	Sum of atom-type H E-State: =CH2	Electrotopological State Atom Type descriptor	2D	0.513
PaDEL	SHdsCH	Sum of atom-type H E-State: =CH-	Electrotopological State Atom Type descriptor	2D	0.535
PaDEL	SHaaCH	Sum of atom-type H E-State: :CH:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SHCHnX	Sum of atom-type H E-State: CHnX	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SHCsats	Sum of atom-type H E-State: H on C sp3 bonded to saturated C	Electrotopological State Atom Type descriptor	2D	3.564
PaDEL	SHCsatu	Sum of atom-type H E-State: H on C sp3 bonded to unsaturated C	Electrotopological State Atom Type descriptor	2D	0.752
PaDEL	SHAvin	Sum of atom-type H E-State: H on C vinyl bonded to C aromatic	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SHother	Sum of atom-type H E-State: H on aaCH, dCH2 or dsCH	Electrotopological State Atom Type descriptor	2D	1.048
PaDEL	SHmisc	Sum of atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or Pb	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsLi	Sum of atom-type E-State: -Li	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SssBe	Sum of atom-type E-State: -Be-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SssssBem	Sum of atom-type E-State: >Be<-2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsBH2	Sum of atom-type E-State: -BH2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SssBH	Sum of atom-type E-State: -BH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsssB	Sum of atom-type E-State: -B<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SssssBm	Sum of atom-type E-State: >B<-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsCH3	Sum of atom-type E-State: -CH3	Electrotopological State Atom Type descriptor	2D	2.217
PaDEL	SdCH2	Sum of atom-type E-State: =CH2	Electrotopological State Atom Type descriptor	2D	3.39
PaDEL	SssCH2	Sum of atom-type E-State: -CH2-	Electrotopological State Atom Type descriptor	2D	11.094
PaDEL	StCH	Sum of atom-type E-State: #CH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SdsCH	Sum of atom-type E-State: =CH-	Electrotopological State Atom Type descriptor	2D	1.408
PaDEL	SaaCH	Sum of atom-type E-State: :CH:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsssCH	Sum of atom-type E-State: >CH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SddC	Sum of atom-type E-State: =C=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	StsC	Sum of atom-type E-State: #C-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SdssC	Sum of atom-type E-State: =C<	Electrotopological State Atom Type descriptor	2D	-1.854
PaDEL	SaasC	Sum of atom-type E-State: :C:-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SaaaC	Sum of atom-type E-State: ::C:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SssssC	Sum of atom-type E-State: >C<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsNH3p	Sum of atom-type E-State: -NH3+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsNH2	Sum of atom-type E-State: -NH2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SssNH2p	Sum of atom-type E-State: -NH2-+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SdNH	Sum of atom-type E-State: =NH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SssNH	Sum of atom-type E-State: -NH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SaaNH	Sum of atom-type E-State: :NH:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	StN	Sum of atom-type E-State: #N	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsssNHp	Sum of atom-type E-State: >NH-+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SdsN	Sum of atom-type E-State: =N-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SaaN	Sum of atom-type E-State: :N:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsssN	Sum of atom-type E-State: >N-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SddsN	Sum of atom-type E-State: -N<<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SaasN	Sum of atom-type E-State: :N:-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SssssNp	Sum of atom-type E-State: >N<+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsOH	Sum of atom-type E-State: -OH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SdO	Sum of atom-type E-State: =O	Electrotopological State Atom Type descriptor	2D	22.202
PaDEL	SssO	Sum of atom-type E-State: -O-	Electrotopological State Atom Type descriptor	2D	9.377
PaDEL	SaaO	Sum of atom-type E-State: :O:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SaOm	Sum of atom-type E-State: :O-0.5	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsOm	Sum of atom-type E-State: -O-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsF	Sum of atom-type E-State: -F	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsSiH3	Sum of atom-type E-State: -SiH3	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SssSiH2	Sum of atom-type E-State: -SiH2-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsssSiH	Sum of atom-type E-State: >SiH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SssssSi	Sum of atom-type E-State: >Si<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsPH2	Sum of atom-type E-State: -PH2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SssPH	Sum of atom-type E-State: -PH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsssP	Sum of atom-type E-State: >P-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SdsssP	Sum of atom-type E-State: ->P=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SddsP	Sum of atom-type E-State: -=P=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsssssP	Sum of atom-type E-State: ->P<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsSH	Sum of atom-type E-State: -SH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SdS	Sum of atom-type E-State: =S	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SssS	Sum of atom-type E-State: -S-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SaaS	Sum of atom-type E-State: aSa	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SdssS	Sum of atom-type E-State: >S=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SddssS	Sum of atom-type E-State: >S==	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SssssssS	Sum of atom-type E-State: >S<<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SSm	Sum of atom-type E-State: -S-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsCl	Sum of atom-type E-State: -Cl	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsGeH3	Sum of atom-type E-State: -GeH3	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SssGeH2	Sum of atom-type E-State: -GeH2-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsssGeH	Sum of atom-type E-State: >GeH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SssssGe	Sum of atom-type E-State: >Ge<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsAsH2	Sum of atom-type E-State: -AsH2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SssAsH	Sum of atom-type E-State: -AsH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsssAs	Sum of atom-type E-State: >As-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SdsssAs	Sum of atom-type E-State: ->As=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SddsAs	Sum of atom-type E-State: -=As=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsssssAs	Sum of atom-type E-State: ->As<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsSeH	Sum of atom-type E-State: -SeH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SdSe	Sum of atom-type E-State: =Se	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SssSe	Sum of atom-type E-State: -Se-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SaaSe	Sum of atom-type E-State: aSea	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SdssSe	Sum of atom-type E-State: >Se=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SssssssSe	Sum of atom-type E-State: >Se<<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SddssSe	Sum of atom-type E-State: -=Se=-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsBr	Sum of atom-type E-State: -Br	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsSnH3	Sum of atom-type E-State: -SnH3	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SssSnH2	Sum of atom-type E-State: -SnH2-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsssSnH	Sum of atom-type E-State: >SnH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SssssSn	Sum of atom-type E-State: >Sn<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsI	Sum of atom-type E-State: -I	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsPbH3	Sum of atom-type E-State: -PbH3	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SssPbH2	Sum of atom-type E-State: -PbH2-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SsssPbH	Sum of atom-type E-State: >PbH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	SssssPb	Sum of atom-type E-State: >Pb<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minHBd	Minimum E-States for (strong) Hydrogen Bond donors	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minwHBd	Minimum E-States for weak Hydrogen Bond donors	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minHBa	Minimum E-States for (strong) Hydrogen Bond acceptors	Electrotopological State Atom Type descriptor	2D	4.564
PaDEL	minwHBa	Minimum E-States for weak Hydrogen Bond acceptors	Electrotopological State Atom Type descriptor	2D	-0.944
PaDEL	minHBint2	Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minHBint3	Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 3	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minHBint4	Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 4	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minHBint5	Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 5	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minHBint6	Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 6	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minHBint7	Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 7	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minHBint8	Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 8	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minHBint9	Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 9	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minHBint10	Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 10	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minHsOH	Minimum atom-type H E-State: -OH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minHdNH	Minimum atom-type H E-State: =NH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minHsSH	Minimum atom-type H E-State: -SH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minHsNH2	Minimum atom-type H E-State: -NH2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minHssNH	Minimum atom-type H E-State: -NH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minHaaNH	Minimum atom-type H E-State: :NH:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minHsNH3p	Minimum atom-type H E-State: -NH3+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minHssNH2p	Minimum atom-type H E-State: -NH2-+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minHsssNHp	Minimum atom-type H E-State: >NH-+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minHtCH	Minimum atom-type H E-State: #CH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minHdCH2	Minimum atom-type H E-State: =CH2	Electrotopological State Atom Type descriptor	2D	0.513
PaDEL	minHdsCH	Minimum atom-type H E-State: =CH-	Electrotopological State Atom Type descriptor	2D	0.535
PaDEL	minHaaCH	Minimum atom-type H E-State: :CH:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minHCHnX	Minimum atom-type H E-State: CHnX	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minHCsats	Minimum atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or Pb	Electrotopological State Atom Type descriptor	2D	0.228
PaDEL	minHCsatu	Minimum atom-type H E-State: H on C sp3 bonded to unsaturated C	Electrotopological State Atom Type descriptor	2D	0.752
PaDEL	minHAvin	Minimum atom-type H E-State: H on C vinyl bonded to C aromatic	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minHother	Minimum atom-type H E-State: H on aaCH, dCH2 or dsCH	Electrotopological State Atom Type descriptor	2D	0.513
PaDEL	minHmisc	Minimum atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or Pb	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsLi	Minimum atom-type E-State: -Li	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minssBe	Minimum atom-type E-State: -Be-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minssssBem	Minimum atom-type E-State: >Be<-2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsBH2	Minimum atom-type E-State: -BH2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minssBH	Minimum atom-type E-State: -BH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsssB	Minimum atom-type E-State: -B<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minssssBm	Minimum atom-type E-State: >B<-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsCH3	Minimum atom-type E-State: -CH3	Electrotopological State Atom Type descriptor	2D	2.217
PaDEL	mindCH2	Minimum atom-type E-State: =CH2	Electrotopological State Atom Type descriptor	2D	3.39
PaDEL	minssCH2	Minimum atom-type E-State: -CH2-	Electrotopological State Atom Type descriptor	2D	0.034
PaDEL	mintCH	Minimum atom-type E-State: #CH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	mindsCH	Minimum atom-type E-State: =CH-	Electrotopological State Atom Type descriptor	2D	1.408
PaDEL	minaaCH	Minimum atom-type E-State: :CH:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsssCH	Minimum atom-type E-State: >CH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minddC	Minimum atom-type E-State: =C=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	mintsC	Minimum atom-type E-State: #C-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	mindssC	Minimum atom-type E-State: =C<	Electrotopological State Atom Type descriptor	2D	-0.944
PaDEL	minaasC	Minimum atom-type E-State: :C:-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minaaaC	Minimum atom-type E-State: ::C:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minssssC	Minimum atom-type E-State: >C<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsNH3p	Minimum atom-type E-State: -NH3+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsNH2	Minimum atom-type E-State: -NH2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minssNH2p	Minimum atom-type E-State: -NH2-+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	mindNH	Minimum atom-type E-State: =NH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minssNH	Minimum atom-type E-State: -NH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minaaNH	Minimum atom-type E-State: :NH:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	mintN	Minimum atom-type E-State: #N	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsssNHp	Minimum atom-type E-State: >NH-+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	mindsN	Minimum atom-type E-State: =N-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minaaN	Minimum atom-type E-State: :N:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsssN	Minimum atom-type E-State: >N-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minddsN	Minimum atom-type E-State: -N<<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minaasN	Minimum atom-type E-State: :N:-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minssssNp	Minimum atom-type E-State: >N<+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsOH	Minimum atom-type E-State: -OH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	mindO	Minimum atom-type E-State: =O	Electrotopological State Atom Type descriptor	2D	11.049
PaDEL	minssO	Minimum atom-type E-State: -O-	Electrotopological State Atom Type descriptor	2D	4.564
PaDEL	minaaO	Minimum atom-type E-State: :O:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minaOm	Minimum atom-type E-State: :O-0.5	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsOm	Minimum atom-type E-State: -O-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsF	Minimum atom-type E-State: -F	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsSiH3	Minimum atom-type E-State: -SiH3	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minssSiH2	Minimum atom-type E-State: -SiH2-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsssSiH	Minimum atom-type E-State: >SiH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minssssSi	Minimum atom-type E-State: >Si<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsPH2	Minimum atom-type E-State: -PH2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minssPH	Minimum atom-type E-State: -PH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsssP	Minimum atom-type E-State: >P-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	mindsssP	Minimum atom-type E-State: ->P=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minddsP	Minimum atom-type E-State: -=P=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsssssP	Minimum atom-type E-State: ->P<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsSH	Minimum atom-type E-State: -SH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	mindS	Minimum atom-type E-State: =S	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minssS	Minimum atom-type E-State: -S-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minaaS	Minimum atom-type E-State: aSa	Electrotopological State Atom Type descriptor	2D	0
PaDEL	mindssS	Minimum atom-type E-State: >S=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minddssS	Minimum atom-type E-State: >S==	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minssssssS	Minimum atom-type E-State: >S<<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minSm	Minimum atom-type E-State: -S-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsCl	Minimum atom-type E-State: -Cl	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsGeH3	Minimum atom-type E-State: -GeH3	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minssGeH2	Minimum atom-type E-State: -GeH2-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsssGeH	Minimum atom-type E-State: >GeH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minssssGe	Minimum atom-type E-State: >Ge<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsAsH2	Minimum atom-type E-State: -AsH2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minssAsH	Minimum atom-type E-State: -AsH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsssAs	Minimum atom-type E-State: >As-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	mindsssAs	Minimum atom-type E-State: ->As=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minddsAs	Minimum atom-type E-State: -=As=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsssssAs	Minimum atom-type E-State: ->As<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsSeH	Minimum atom-type E-State: -SeH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	mindSe	Minimum atom-type E-State: =Se	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minssSe	Minimum atom-type E-State: -Se-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minaaSe	Minimum atom-type E-State: aSea	Electrotopological State Atom Type descriptor	2D	0
PaDEL	mindssSe	Minimum atom-type E-State: >Se=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minssssssSe	Minimum atom-type E-State: >Se<<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minddssSe	Minimum atom-type E-State: -=Se=-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsBr	Minimum atom-type E-State: -Br	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsSnH3	Minimum atom-type E-State: -SnH3	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minssSnH2	Minimum atom-type E-State: -SnH2-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsssSnH	Minimum atom-type E-State: >SnH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minssssSn	Minimum atom-type E-State: >Sn<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsI	Minimum atom-type E-State: -I	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsPbH3	Minimum atom-type E-State: -PbH3	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minssPbH2	Minimum atom-type E-State: -PbH2-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minsssPbH	Minimum atom-type E-State: >PbH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	minssssPb	Minimum atom-type E-State: >Pb<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxHBd	Maximum E-States for (strong) Hydrogen Bond donors	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxwHBd	Maximum E-States for weak Hydrogen Bond donors	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxHBa	Maximum E-States for (strong) Hydrogen Bond acceptors	Electrotopological State Atom Type descriptor	2D	11.153
PaDEL	maxwHBa	Maximum E-States for weak Hydrogen Bond acceptors	Electrotopological State Atom Type descriptor	2D	3.39
PaDEL	maxHBint2	Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxHBint3	Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 3	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxHBint4	Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 4	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxHBint5	Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 5	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxHBint6	Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 6	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxHBint7	Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 7	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxHBint8	Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 8	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxHBint9	Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 9	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxHBint10	Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 10	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxHsOH	Maximum atom-type H E-State: -OH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxHdNH	Maximum atom-type H E-State: =NH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxHsSH	Maximum atom-type H E-State: -SH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxHsNH2	Maximum atom-type H E-State: -NH2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxHssNH	Maximum atom-type H E-State: -NH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxHaaNH	Maximum atom-type H E-State: :NH:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxHsNH3p	Maximum atom-type H E-State: -NH3+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxHssNH2p	Maximum atom-type H E-State: -NH2-+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxHsssNHp	Maximum atom-type H E-State: >NH-+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxHtCH	Maximum atom-type H E-State: #CH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxHdCH2	Maximum atom-type H E-State: =CH2	Electrotopological State Atom Type descriptor	2D	0.513
PaDEL	maxHdsCH	Maximum atom-type H E-State: =CH-	Electrotopological State Atom Type descriptor	2D	0.535
PaDEL	maxHaaCH	Maximum atom-type H E-State: :CH:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxHCHnX	Maximum atom-type H E-State: CHnX	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxHCsats	Maximum atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or Pb	Electrotopological State Atom Type descriptor	2D	0.671
PaDEL	maxHCsatu	Maximum atom-type H E-State: H on C sp3 bonded to unsaturated C	Electrotopological State Atom Type descriptor	2D	0.752
PaDEL	maxHAvin	Maximum atom-type H E-State: H on C vinyl bonded to C aromatic	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxHother	Maximum atom-type H E-State: H on aaCH, dCH2 or dsCH	Electrotopological State Atom Type descriptor	2D	0.535
PaDEL	maxHmisc	Maximum atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or Pb	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsLi	Maximum atom-type E-State: -Li	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxssBe	Maximum atom-type E-State: -Be-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxssssBem	Maximum atom-type E-State: >Be<-2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsBH2	Maximum atom-type E-State: -BH2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxssBH	Maximum atom-type E-State: -BH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsssB	Maximum atom-type E-State: -B<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxssssBm	Maximum atom-type E-State: >B<-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsCH3	Maximum atom-type E-State: -CH3	Electrotopological State Atom Type descriptor	2D	2.217
PaDEL	maxdCH2	Maximum atom-type E-State: =CH2	Electrotopological State Atom Type descriptor	2D	3.39
PaDEL	maxssCH2	Maximum atom-type E-State: -CH2-	Electrotopological State Atom Type descriptor	2D	1.334
PaDEL	maxtCH	Maximum atom-type E-State: #CH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxdsCH	Maximum atom-type E-State: =CH-	Electrotopological State Atom Type descriptor	2D	1.408
PaDEL	maxaaCH	Maximum atom-type E-State: :CH:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsssCH	Maximum atom-type E-State: >CH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxddC	Maximum atom-type E-State: =C=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxtsC	Maximum atom-type E-State: #C-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxdssC	Maximum atom-type E-State: =C<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxaasC	Maximum atom-type E-State: :C:-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxaaaC	Maximum atom-type E-State: ::C:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxssssC	Maximum atom-type E-State: >C<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsNH3p	Maximum atom-type E-State: -NH3+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsNH2	Maximum atom-type E-State: -NH2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxssNH2p	Maximum atom-type E-State: -NH2-+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxdNH	Maximum atom-type E-State: =NH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxssNH	Maximum atom-type E-State: -NH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxaaNH	Maximum atom-type E-State: :NH:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxtN	Maximum atom-type E-State: #N	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsssNHp	Maximum atom-type E-State: >NH-+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxdsN	Maximum atom-type E-State: =N-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxaaN	Maximum atom-type E-State: :N:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsssN	Maximum atom-type E-State: >N-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxddsN	Maximum atom-type E-State: -N<<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxaasN	Maximum atom-type E-State: :N:-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxssssNp	Maximum atom-type E-State: >N<+	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsOH	Maximum atom-type E-State: -OH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxdO	Maximum atom-type E-State: =O	Electrotopological State Atom Type descriptor	2D	11.153
PaDEL	maxssO	Maximum atom-type E-State: -O-	Electrotopological State Atom Type descriptor	2D	4.813
PaDEL	maxaaO	Maximum atom-type E-State: :O:	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxaOm	Maximum atom-type E-State: :O-0.5	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsOm	Maximum atom-type E-State: -O-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsF	Maximum atom-type E-State: -F	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsSiH3	Maximum atom-type E-State: -SiH3	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxssSiH2	Maximum atom-type E-State: -SiH2-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsssSiH	Maximum atom-type E-State: >SiH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxssssSi	Maximum atom-type E-State: >Si<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsPH2	Maximum atom-type E-State: -PH2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxssPH	Maximum atom-type E-State: -PH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsssP	Maximum atom-type E-State: >P-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxdsssP	Maximum atom-type E-State: ->P=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxddsP	Maximum atom-type E-State: -=P=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsssssP	Maximum atom-type E-State: ->P<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsSH	Maximum atom-type E-State: -SH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxdS	Maximum atom-type E-State: =S	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxssS	Maximum atom-type E-State: -S-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxaaS	Maximum atom-type E-State: aSa	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxdssS	Maximum atom-type E-State: >S=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxddssS	Maximum atom-type E-State: >S==	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxssssssS	Maximum atom-type E-State: >S<<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxSm	Maximum atom-type E-State: -S-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsCl	Maximum atom-type E-State: -Cl	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsGeH3	Maximum atom-type E-State: -GeH3	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxssGeH2	Maximum atom-type E-State: -GeH2-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsssGeH	Maximum atom-type E-State: >GeH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxssssGe	Maximum atom-type E-State: >Ge<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsAsH2	Maximum atom-type E-State: -AsH2	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxssAsH	Maximum atom-type E-State: -AsH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsssAs	Maximum atom-type E-State: >As-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxdsssAs	Maximum atom-type E-State: ->As=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxddsAs	Maximum atom-type E-State: -=As=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsssssAs	Maximum atom-type E-State: ->As<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsSeH	Maximum atom-type E-State: -SeH	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxdSe	Maximum atom-type E-State: =Se	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxssSe	Maximum atom-type E-State: -Se-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxaaSe	Maximum atom-type E-State: aSea	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxdssSe	Maximum atom-type E-State: >Se=	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxssssssSe	Maximum atom-type E-State: >Se<<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxddssSe	Maximum atom-type E-State: -=Se=-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsBr	Maximum atom-type E-State: -Br	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsSnH3	Maximum atom-type E-State: -SnH3	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxssSnH2	Maximum atom-type E-State: -SnH2-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsssSnH	Maximum atom-type E-State: >SnH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxssssSn	Maximum atom-type E-State: >Sn<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsI	Maximum atom-type E-State: -I	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsPbH3	Maximum atom-type E-State: -PbH3	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxssPbH2	Maximum atom-type E-State: -PbH2-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxsssPbH	Maximum atom-type E-State: >PbH-	Electrotopological State Atom Type descriptor	2D	0
PaDEL	maxssssPb	Maximum atom-type E-State: >Pb<	Electrotopological State Atom Type descriptor	2D	0
PaDEL	sumI	Sum of the intrinsic state values I	Electrotopological State Atom Type descriptor	2D	47.833
PaDEL	meanI	Mean intrinsic state values I	Electrotopological State Atom Type descriptor	2D	2.392
PaDEL	hmax	Maximum H E-State	Electrotopological State Atom Type descriptor	2D	0.8
PaDEL	gmax	Maximum E-State	Electrotopological State Atom Type descriptor	2D	11.153
PaDEL	hmin	Minimum H E-State	Electrotopological State Atom Type descriptor	2D	0.131
PaDEL	gmin	Minimum E-State	Electrotopological State Atom Type descriptor	2D	-0.944
PaDEL	LipoaffinityIndex	Lipoaffinity index	Electrotopological State Atom Type descriptor	2D	8.039
PaDEL	MAXDN	Maximum negative intrinsic state di€fference in the molecule. Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors. Chemosphere 41, 763-777.	Electrotopological State Atom Type descriptor	2D	2.61
PaDEL	MAXDP	Maximum positive intrinsic state di€fference in the molecule. Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors. Chemosphere 41, 763-777.	Electrotopological State Atom Type descriptor	2D	4.153
PaDEL	DELS	Sum of all atoms intrinsic state differences. Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors. Chemosphere 41, 763-777.	Electrotopological State Atom Type descriptor	2D	22.371
PaDEL	MAXDN2	Maximum negative intrinsic state di€fference in the molecule. Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors. Chemosphere 41, 763-777.	Electrotopological State Atom Type descriptor	2D	2.61
PaDEL	MAXDP2	Maximum positive intrinsic state di€fference in the molecule. Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors. Chemosphere 41, 763-777.	Electrotopological State Atom Type descriptor	2D	4.153
PaDEL	DELS2	Sum of all atoms intrinsic state differences. Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors. Chemosphere 41, 763-777.	Electrotopological State Atom Type descriptor	2D	22.371
PaDEL	ETA_Alpha	Sum of alpha values of all non-hydrogen vertices of a molecule	Extended Topochemical Atom descriptor	2D	9.333
PaDEL	ETA_AlphaP	Sum of alpha values of all non-hydrogen vertices of a molecule relative to molecular size	Extended Topochemical Atom descriptor	2D	0.467
PaDEL	ETA_dAlpha_A	A measure of count of non-hydrogen heteroatoms	Extended Topochemical Atom descriptor	2D	0
PaDEL	ETA_dAlpha_B	A measure of count of hydrogen bond acceptor atoms and/or polar surface area	Extended Topochemical Atom descriptor	2D	0.033
PaDEL	ETA_Epsilon_1	A measure of electronegative atom count	Extended Topochemical Atom descriptor	2D	0.531
PaDEL	ETA_Epsilon_2	A measure of electronegative atom count	Extended Topochemical Atom descriptor	2D	0.853
PaDEL	ETA_Epsilon_3	A measure of electronegative atom count	Extended Topochemical Atom descriptor	2D	0.429
PaDEL	ETA_Epsilon_4	A measure of electronegative atom count	Extended Topochemical Atom descriptor	2D	0.521
PaDEL	ETA_Epsilon_5	A measure of electronegative atom count	Extended Topochemical Atom descriptor	2D	0.853
PaDEL	ETA_dEpsilon_A	A measure of contribution of unsaturation and electronegative atom count	Extended Topochemical Atom descriptor	2D	0.102
PaDEL	ETA_dEpsilon_B	A measure of contribution of unsaturation	Extended Topochemical Atom descriptor	2D	0.009
PaDEL	ETA_dEpsilon_C	A measure of contribution of electronegativity	Extended Topochemical Atom descriptor	2D	-0.092
PaDEL	ETA_dEpsilon_D	A measure of contribution of hydrogen bond donor atoms	Extended Topochemical Atom descriptor	2D	0
PaDEL	ETA_Psi_1	A measure of hydrogen bonding propensity of the molecules and/or polar surface area	Extended Topochemical Atom descriptor	2D	0.547
PaDEL	ETA_dPsi_A	A measure of hydrogen bonding propensity of the molecules	Extended Topochemical Atom descriptor	2D	0.167
PaDEL	ETA_dPsi_B	A measure of hydrogen bonding propensity of the molecules	Extended Topochemical Atom descriptor	2D	0
PaDEL	ETA_Shape_P	Shape index P	Extended Topochemical Atom descriptor	2D	0.179
PaDEL	ETA_Shape_Y	Shape index Y	Extended Topochemical Atom descriptor	2D	0.107
PaDEL	ETA_Shape_X	Shape index X	Extended Topochemical Atom descriptor	2D	0
PaDEL	ETA_Beta	A measure of electronic features of the molecule	Extended Topochemical Atom descriptor	2D	15
PaDEL	ETA_BetaP	A measure of electronic features of the molecule relative to molecular size	Extended Topochemical Atom descriptor	2D	0.75
PaDEL	ETA_Beta_s	A measure of electronegative atom count of the molecule	Extended Topochemical Atom descriptor	2D	11
PaDEL	ETA_BetaP_s	A measure of electronegative atom count of the molecule relative to molecular size	Extended Topochemical Atom descriptor	2D	0.55
PaDEL	ETA_Beta_ns	A measure of electron-richness of the molecule	Extended Topochemical Atom descriptor	2D	4
PaDEL	ETA_BetaP_ns	A measure of electron-richness of the molecule relative to molecular size	Extended Topochemical Atom descriptor	2D	0.2
PaDEL	ETA_dBeta	A measure of relative unsaturation content	Extended Topochemical Atom descriptor	2D	-7
PaDEL	ETA_dBetaP	A measure of relative unsaturation content relative to molecular size	Extended Topochemical Atom descriptor	2D	-0.35
PaDEL	ETA_Beta_ns_d	A measure of lone electrons entering into resonance	Extended Topochemical Atom descriptor	2D	0
PaDEL	ETA_BetaP_ns_d	A measure of lone electrons entering into resonance relative to molecular size	Extended Topochemical Atom descriptor	2D	0
PaDEL	ETA_Eta	Composite index Eta	Extended Topochemical Atom descriptor	2D	19.938
PaDEL	ETA_EtaP	Composite index Eta relative to molecular size	Extended Topochemical Atom descriptor	2D	0.997
PaDEL	ETA_Eta_R	Composite index Eta for reference alkane	Extended Topochemical Atom descriptor	2D	29.478
PaDEL	ETA_Eta_F	Functionality index EtaF	Extended Topochemical Atom descriptor	2D	9.54
PaDEL	ETA_EtaP_F	Functionality index EtaF relative to molecular size	Extended Topochemical Atom descriptor	2D	0.477
PaDEL	ETA_Eta_L	Local index Eta_local	Extended Topochemical Atom descriptor	2D	7.146
PaDEL	ETA_EtaP_L	Local index Eta_local relative to molecular size	Extended Topochemical Atom descriptor	2D	0.357
PaDEL	ETA_Eta_R_L	Local index Eta_local for reference alkane	Extended Topochemical Atom descriptor	2D	9.719
PaDEL	ETA_Eta_F_L	Local functionality contribution EtaF_local	Extended Topochemical Atom descriptor	2D	2.573
PaDEL	ETA_EtaP_F_L	Local functionality contribution EtaF_local relative to molecular size	Extended Topochemical Atom descriptor	2D	0.129
PaDEL	ETA_Eta_B	Branching index EtaB	Extended Topochemical Atom descriptor	2D	0.195
PaDEL	ETA_EtaP_B	Branching index EtaB relative to molecular size	Extended Topochemical Atom descriptor	2D	0.01
PaDEL	ETA_Eta_B_RC	Branching index EtaB (with ring correction)	Extended Topochemical Atom descriptor	2D	0.195
PaDEL	ETA_EtaP_B_RC	Branching index EtaB (with ring correction) relative to molecular size	Extended Topochemical Atom descriptor	2D	0.01
PaDEL	FMF	Complexity of a molecule	FMF descriptor	2D	0
PaDEL	fragC	Complexity of a system	PaDEL Fragment Complexity descriptor	2D	19.04
PaDEL	nHBAcc	Number of hydrogen bond acceptors (using CDK HBondAcceptorCountDescriptor algorithm)	PaDEL HBond Acceptor Count descriptor	2D	4
PaDEL	nHBAcc2	Number of hydrogen bond acceptors	PaDEL HBond Acceptor Count descriptor	2D	4
PaDEL	nHBAcc3	Number of hydrogen bond acceptors	PaDEL HBond Acceptor Count descriptor	2D	4
PaDEL	nHBAcc_Lipinski	Number of hydrogen bond acceptors	PaDEL HBond Acceptor Count descriptor	2D	4
PaDEL	nHBDon	Number of hydrogen bond donors (using CDK HBondDonorCountDescriptor algorithm)	PaDEL HBond Donor Count descriptor	2D	0
PaDEL	nHBDon_Lipinski	Number of hydrogen bond donors (using Lipinski's definition: Any OH or NH. Each available hydrogen atom is counted as one hydrogen bond donor)	PaDEL HBond Donor Count descriptor	2D	0
PaDEL	HybRatio	Fraction of sp3 carbons to sp2 carbons	Hybridization Ratio descriptor	2D	0.75
PaDEL	IC0	Information content index (neighborhood symmetry of 0-order)	Information Content descriptor	2D	1.281
PaDEL	IC1	Information content index (neighborhood symmetry of 1-order)	Information Content descriptor	2D	2.348
PaDEL	IC2	Information content index (neighborhood symmetry of 2-order)	Information Content descriptor	2D	3.304
PaDEL	IC3	Information content index (neighborhood symmetry of 3-order)	Information Content descriptor	2D	3.842
PaDEL	IC4	Information content index (neighborhood symmetry of 4-order)	Information Content descriptor	2D	4.203
PaDEL	IC5	Information content index (neighborhood symmetry of 5-order)	Information Content descriptor	2D	4.394
PaDEL	TIC0	Total information content index (neighborhood symmetry of 0-order)	Information Content descriptor	2D	61.472
PaDEL	TIC1	Total information content index (neighborhood symmetry of 1-order)	Information Content descriptor	2D	112.698
PaDEL	TIC2	Total information content index (neighborhood symmetry of 2-order)	Information Content descriptor	2D	158.613
PaDEL	TIC3	Total information content index (neighborhood symmetry of 3-order)	Information Content descriptor	2D	184.411
PaDEL	TIC4	Total information content index (neighborhood symmetry of 4-order)	Information Content descriptor	2D	201.74
PaDEL	TIC5	Total information content index (neighborhood symmetry of 5-order)	Information Content descriptor	2D	210.917
PaDEL	SIC0	Structural information content index (neighborhood symmetry of 0-order)	Information Content descriptor	2D	0.229
PaDEL	SIC1	Structural information content index (neighborhood symmetry of 1-order)	Information Content descriptor	2D	0.42
PaDEL	SIC2	Structural information content index (neighborhood symmetry of 2-order)	Information Content descriptor	2D	0.592
PaDEL	SIC3	Structural information content index (neighborhood symmetry of 3-order)	Information Content descriptor	2D	0.688
PaDEL	SIC4	Structural information content index (neighborhood symmetry of 4-order)	Information Content descriptor	2D	0.753
PaDEL	SIC5	Structural information content index (neighborhood symmetry of 5-order)	Information Content descriptor	2D	0.787
PaDEL	CIC0	Complementary information content index (neighborhood symmetry of 0-order)	Information Content descriptor	2D	4.304
PaDEL	CIC1	Complementary information content index (neighborhood symmetry of 1-order)	Information Content descriptor	2D	3.237
PaDEL	CIC2	Complementary information content index (neighborhood symmetry of 2-order)	Information Content descriptor	2D	2.281
PaDEL	CIC3	Complementary information content index (neighborhood symmetry of 3-order)	Information Content descriptor	2D	1.743
PaDEL	CIC4	Complementary information content index (neighborhood symmetry of 4-order)	Information Content descriptor	2D	1.382
PaDEL	CIC5	Complementary information content index (neighborhood symmetry of 5-order)	Information Content descriptor	2D	1.191
PaDEL	BIC0	Bond information content index (neighborhood symmetry of 0-order)	Information Content descriptor	2D	0.227
PaDEL	BIC1	Bond information content index (neighborhood symmetry of 1-order)	Information Content descriptor	2D	0.416
PaDEL	BIC2	Bond information content index (neighborhood symmetry of 2-order)	Information Content descriptor	2D	0.585
PaDEL	BIC3	Bond information content index (neighborhood symmetry of 3-order)	Information Content descriptor	2D	0.681
PaDEL	BIC4	Bond information content index (neighborhood symmetry of 4-order)	Information Content descriptor	2D	0.745
PaDEL	BIC5	Bond information content index (neighborhood symmetry of 5-order)	Information Content descriptor	2D	0.779
PaDEL	MIC0	Modified information content index (neighborhood symmetry of 0-order)	Information Content descriptor	2D	11.575
PaDEL	MIC1	Modified information content index (neighborhood symmetry of 1-order)	Information Content descriptor	2D	21.565
PaDEL	MIC2	Modified information content index (neighborhood symmetry of 2-order)	Information Content descriptor	2D	25.186
PaDEL	MIC3	Modified information content index (neighborhood symmetry of 3-order)	Information Content descriptor	2D	27.57
PaDEL	MIC4	Modified information content index (neighborhood symmetry of 4-order)	Information Content descriptor	2D	29.497
PaDEL	MIC5	Modified information content index (neighborhood symmetry of 5-order)	Information Content descriptor	2D	30.035
PaDEL	ZMIC0	Z-modified information content index (neighborhood symmetry of 0-order)	Information Content descriptor	2D	72.98
PaDEL	ZMIC1	Z-modified information content index (neighborhood symmetry of 1-order)	Information Content descriptor	2D	49.353
PaDEL	ZMIC2	Z-modified information content index (neighborhood symmetry of 2-order)	Information Content descriptor	2D	40.675
PaDEL	ZMIC3	Z-modified information content index (neighborhood symmetry of 3-order)	Information Content descriptor	2D	33.726
PaDEL	ZMIC4	Z-modified information content index (neighborhood symmetry of 4-order)	Information Content descriptor	2D	28.527
PaDEL	ZMIC5	Z-modified information content index (neighborhood symmetry of 5-order)	Information Content descriptor	2D	27.147
PaDEL	Kier1	First kappa shape index	KappaShape Indices descriptor	2D	20
PaDEL	Kier2	Second kappa shape index	KappaShape Indices descriptor	2D	15.39
PaDEL	Kier3	Third kappa (κ) shape index	KappaShape Indices descriptor	2D	13.77
PaDEL	nAtomLC	Number of atoms in the largest chain	Largest Chain descriptor	2D	20
PaDEL	nAtomP	Number of atoms in the largest pi system	Largest Pi System descriptor	2D	6
PaDEL	nAtomLAC	Number of atoms in the longest aliphatic chain	Longest Aliphatic Chain descriptor	2D	11
PaDEL	MLogP	Mannhold LogP	Mannhold LogP descriptor	2D	2.78
PaDEL	McGowan_Volume	McGowan characteristic volume	McGowan Volume descriptor	2D	2.469
PaDEL	MDEC-11	Molecular distance edge between all primary carbons	MDE descriptor	2D	0.059
PaDEL	MDEC-12	Molecular distance edge between all primary and secondary carbons	MDE descriptor	2D	3.624
PaDEL	MDEC-13	Molecular distance edge between all primary and tertiary carbons	MDE descriptor	2D	0.535
PaDEL	MDEC-14	Molecular distance edge between all primary and quaternary carbons	MDE descriptor	2D	0
PaDEL	MDEC-22	Molecular distance edge between all secondary carbons	MDE descriptor	2D	15.865
PaDEL	MDEC-23	Molecular distance edge between all secondary and tertiary carbons	MDE descriptor	2D	4.335
PaDEL	MDEC-24	Molecular distance edge between all secondary and quaternary carbons	MDE descriptor	2D	0
PaDEL	MDEC-33	Molecular distance edge between all tertiary carbons	MDE descriptor	2D	1
PaDEL	MDEC-34	Molecular distance edge between all tertiary and quaternary carbons	MDE descriptor	2D	0
PaDEL	MDEC-44	Molecular distance edge between all quaternary carbons	MDE descriptor	2D	0
PaDEL	MDEO-11	Molecular distance edge between all primary oxygens	MDE descriptor	2D	0.333
PaDEL	MDEO-12	Molecular distance edge between all primary and secondary oxygens	MDE descriptor	2D	1.633
PaDEL	MDEO-22	Molecular distance edge between all secondary oxygens	MDE descriptor	2D	0.333
PaDEL	MDEN-11	Molecular distance edge between all primary nitrogens	MDE descriptor	2D	0
PaDEL	MDEN-12	Molecular distance edge between all primary and secondary nitrogens	MDE descriptor	2D	0
PaDEL	MDEN-13	Molecular distance edge between all primary and tertiary niroqens	MDE descriptor	2D	0
PaDEL	MDEN-22	Molecular distance edge between all secondary nitroqens	MDE descriptor	2D	0
PaDEL	MDEN-23	Molecular distance edge between all secondary and tertiary nitrogens	MDE descriptor	2D	0
PaDEL	MDEN-33	Molecular distance edge between all tertiary nitrogens	MDE descriptor	2D	0
PaDEL	MLFER_A	Overall or summation solute hydrogen bond acidity	MLFER descriptor	2D	0.003
PaDEL	MLFER_BH	Overall or summation solute hydrogen bond basicity	MLFER descriptor	2D	0.786
PaDEL	MLFER_BO	Overall or summation solute hydrogen bond basicity	MLFER descriptor	2D	0.784
PaDEL	MLFER_S	Combined dipolarity/polarizability	MLFER descriptor	2D	1.029
PaDEL	MLFER_E	Excessive molar refraction	MLFER descriptor	2D	0.247
PaDEL	MLFER_L	Solute gas-hexadecane partition coefficient	MLFER descriptor	2D	8.831
PaDEL	MPC2	Molecular path count of order 2	Path Count descriptor	2D	20
PaDEL	MPC3	Molecular path count of order 3	Path Count descriptor	2D	20
PaDEL	MPC4	Molecular path count of order 4	Path Count descriptor	2D	18
PaDEL	MPC5	Molecular path count of order 5	Path Count descriptor	2D	17
PaDEL	MPC6	Molecular path count of order 6	Path Count descriptor	2D	15
PaDEL	MPC7	Molecular path count of order 7	Path Count descriptor	2D	13
PaDEL	MPC8	Molecular path count of order 8	Path Count descriptor	2D	12
PaDEL	MPC9	Molecular path count of order 9	Path Count descriptor	2D	11
PaDEL	MPC10	Molecular path count of order 10	Path Count descriptor	2D	10
PaDEL	TPC	Total path count (up to order 10)	Path Count descriptor	2D	175
PaDEL	piPC1	Conventional bond order ID number of order 1	Path Count descriptor	2D	3.135
PaDEL	piPC2	Conventional bond order ID number of order 2	Path Count descriptor	2D	3.258
PaDEL	piPC3	Conventional bond order ID number of order 3	Path Count descriptor	2D	3.367
PaDEL	piPC4	Conventional bond order ID number of order 4	Path Count descriptor	2D	3.178
PaDEL	piPC5	Conventional bond order ID number of order 5	Path Count descriptor	2D	3.219
PaDEL	piPC6	Conventional bond order ID number of order 6	Path Count descriptor	2D	3.091
PaDEL	piPC7	Conventional bond order ID number of order 7	Path Count descriptor	2D	2.833
PaDEL	piPC8	Conventional bond order ID number of order 8	Path Count descriptor	2D	2.773
PaDEL	piPC9	Conventional bond order ID number of order 9	Path Count descriptor	2D	2.708
PaDEL	piPC10	Conventional bond order ID number of order 10	Path Count descriptor	2D	2.639
PaDEL	TpiPC	Total conventional bond order	Path Count descriptor	2D	5.403
PaDEL	R_TpiPCTPC	Ratio of total conventional bond order (up to order 10) with total path count (up to order 10)	Path Count descriptor	2D	1.263
PaDEL	PetitjeanNumber	Petitjean number	Petitjean Number descriptor	2D	0.471
PaDEL	nRing	Number of rings	Ring Count descriptor	2D	0
PaDEL	n3Ring	Number of 3-membered rings	Ring Count descriptor	2D	0
PaDEL	n4Ring	Number of 4-membered rings	Ring Count descriptor	2D	0
PaDEL	n5Ring	Number of 5-membered rings	Ring Count descriptor	2D	0
PaDEL	n6Ring	Number of 6-membered rings	Ring Count descriptor	2D	0
PaDEL	n7Ring	Number of 7-membered rings	Ring Count descriptor	2D	0
PaDEL	n8Ring	Number of 8-membered rings	Ring Count descriptor	2D	0
PaDEL	n9Ring	Number of 9-membered rings	Ring Count descriptor	2D	0
PaDEL	n10Ring	Number of 10-membered rings	Ring Count descriptor	2D	0
PaDEL	n11Ring	Number of 11-membered rings	Ring Count descriptor	2D	0
PaDEL	n12Ring	Number of 12-membered rings	Ring Count descriptor	2D	0
PaDEL	nG12Ring	Number of >12-membered rings	Ring Count descriptor	2D	0
PaDEL	nFRing	Number of fused rings	Ring Count descriptor	2D	0
PaDEL	nF4Ring	Number of 4-membered fused rings	Ring Count descriptor	2D	0
PaDEL	nF5Ring	Number of 5-membered fused rings	Ring Count descriptor	2D	0
PaDEL	nF6Ring	Number of 6-membered fused rings	Ring Count descriptor	2D	0
PaDEL	nF7Ring	Number of 7-membered fused rings	Ring Count descriptor	2D	0
PaDEL	nF8Ring	Number of 8-membered fused rings	Ring Count descriptor	2D	0
PaDEL	nF9Ring	Number of 9-membered fused rings	Ring Count descriptor	2D	0
PaDEL	nF10Ring	Number of 10-membered fused rings	Ring Count descriptor	2D	0
PaDEL	nF11Ring	Number of 11-membered fused rings	Ring Count descriptor	2D	0
PaDEL	nF12Ring	Number of 12-membered fused rings	Ring Count descriptor	2D	0
PaDEL	nFG12Ring	Number of >12-membered fused rings	Ring Count descriptor	2D	0
PaDEL	nTRing	Number of rings (includes counts from fused rings)	Ring Count descriptor	2D	0
PaDEL	nT4Ring	Number of 4-membered rings (includes counts from fused rings)	Ring Count descriptor	2D	0
PaDEL	nT5Ring	Number of 5-membered rings (includes counts from fused rings)	Ring Count descriptor	2D	0
PaDEL	nT6Ring	Number of 6-membered rings (includes counts from fused rings)	Ring Count descriptor	2D	0
PaDEL	nT7Ring	Number of 7-membered rings (includes counts from fused rings)	Ring Count descriptor	2D	0
PaDEL	nT8Ring	Number of 8-membered rings (includes counts from fused rings)	Ring Count descriptor	2D	0
PaDEL	nT9Ring	Number of 9-membered rings (includes counts from fused rings)	Ring Count descriptor	2D	0
PaDEL	nT10Ring	Number of 10-membered rings (includes counts from fused rings)	Ring Count descriptor	2D	0
PaDEL	nT11Ring	Number of 11-membered rings (includes counts from fused rings)	Ring Count descriptor	2D	0
PaDEL	nT12Ring	Number of 12-membered rings (includes counts from fused rings)	Ring Count descriptor	2D	0
PaDEL	nTG12Ring	Number of >12-membered rings (includes counts from fused rings)	Ring Count descriptor	2D	0
PaDEL	nHeteroRing	Number of rings containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	n3HeteroRing	Number of 3-membered rings containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	n4HeteroRing	Number of 4-membered rings containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	n5HeteroRing	Number of 5-membered rings containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	n6HeteroRing	Number of 6-membered rings containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	n7HeteroRing	Number of 7-membered rings containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	n8HeteroRing	Number of 8-membered rings containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	n9HeteroRing	Number of 9-membered rings containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	n10HeteroRing	Number of 10-membered rings containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	n11HeteroRing	Number of 11-membered rings containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	n12HeteroRing	Number of 12-membered rings containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	nG12HeteroRing	Number of >12-membered rings containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	nFHeteroRing	Number of fused rings containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	nF4HeteroRing	Number of 4-membered fused rings containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	nF5HeteroRing	Number of 5-membered fused rings containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	nF6HeteroRing	Number of 6-membered fused rings containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	nF7HeteroRing	Number of 7-membered fused rings containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	nF8HeteroRing	Number of 8-membered fused rings containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	nF9HeteroRing	Number of 9-membered fused rings containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	nF10HeteroRing	Number of 10-membered fused rings containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	nF11HeteroRing	Number of 11-membered fused rings containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	nF12HeteroRing	Number of 12-membered fused rings containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	nFG12HeteroRing	Number of >12-membered fused rings containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	nTHeteroRing	Number of rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	nT4HeteroRing	Number of 4-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	nT5HeteroRing	Number of 5-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	nT6HeteroRing	Number of 6-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	nT7HeteroRing	Number of 7-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	nT8HeteroRing	Number of 8-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	nT9HeteroRing	Number of 9-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	nT10HeteroRing	Number of 10-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	nT11HeteroRing	Number of 11-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	nT12HeteroRing	Number of 12-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	nTG12HeteroRing	Number of >12-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)	Ring Count descriptor	2D	0
PaDEL	nRotB	Number of rotatable bonds, excluding terminal bonds	PaDEL Rotatable Bonds Count descriptor	2D	15
PaDEL	RotBFrac	Fraction of rotatable bonds, excluding terminal bonds	PaDEL Rotatable Bonds Count descriptor	2D	0.789
PaDEL	nRotBt	Number of rotatable bonds, including terminal bonds	PaDEL Rotatable Bonds Count descriptor	2D	16
PaDEL	RotBtFrac	Fraction of rotatable bonds, including terminal bonds	PaDEL Rotatable Bonds Count descriptor	2D	0.842
PaDEL	LipinskiFailures	Number failures of the Lipinski's Rule Of 5	Rule Of Five descriptor	2D	2
PaDEL	topoRadius	Topological radius (minimum atom eccentricity)	Topological descriptor	2D	9
PaDEL	topoDiameter	Topological diameter	Topological descriptor	2D	17
PaDEL	topoShape	Petitjean topological shape index	Topological descriptor	2D	0.889
PaDEL	GGI1	Topological charge index of order 1	Topological Charge descriptor	2D	2
PaDEL	GGI2	Topological charge index of order 2	Topological Charge descriptor	2D	1.333
PaDEL	GGI3	Topological charge index of order 3	Topological Charge descriptor	2D	0.625
PaDEL	GGI4	Topological charge index of order 4	Topological Charge descriptor	2D	0.4
PaDEL	GGI5	Topological charge index of order 5	Topological Charge descriptor	2D	0.222
PaDEL	GGI6	Topological charge index of order 6	Topological Charge descriptor	2D	0.122
PaDEL	GGI7	Topological charge index of order 7	Topological Charge descriptor	2D	0.094
PaDEL	GGI8	Topological charge index of order 8	Topological Charge descriptor	2D	0.074
PaDEL	GGI9	Topological charge index of order 9	Topological Charge descriptor	2D	0.06
PaDEL	GGI10	Topological charge index of order 10	Topological Charge descriptor	2D	0.05
PaDEL	JGI1	Mean topological charge index of order 1	Topological Charge descriptor	2D	0.105
PaDEL	JGI2	Mean topological charge index of order 2	Topological Charge descriptor	2D	0.067
PaDEL	JGI3	Mean topological charge index of order 3	Topological Charge descriptor	2D	0.031
PaDEL	JGI4	Mean topological charge index of order 4	Topological Charge descriptor	2D	0.022
PaDEL	JGI5	Mean topological charge index of order 5	Topological Charge descriptor	2D	0.013
PaDEL	JGI6	Mean topological charge index of order 6	Topological Charge descriptor	2D	0.008
PaDEL	JGI7	Mean topological charge index of order 7	Topological Charge descriptor	2D	0.007
PaDEL	JGI8	Mean topological charge index of order 8	Topological Charge descriptor	2D	0.006
PaDEL	JGI9	Mean topological charge index of order 9	Topological Charge descriptor	2D	0.005
PaDEL	JGI10	Mean topological charge index of order 10	Topological Charge descriptor	2D	0.005
PaDEL	JGT	Global topological charge index	Topological Charge descriptor	2D	0.29
PaDEL	SpMax_D	Leading eigenvalue from topological distance matrix	Topological Distance Matrix descriptor	2D	125.152
PaDEL	SpDiam_D	Spectral diameter from topological distance matrix	Topological Distance Matrix descriptor	2D	197.011
PaDEL	SpAD_D	Spectral absolute deviation from topological distance matrix	Topological Distance Matrix descriptor	2D	250.304
PaDEL	SpMAD_D	Spectral mean absolute deviation from topological distance matrix	Topological Distance Matrix descriptor	2D	12.515
PaDEL	EE_D	Estrada-like index from topological distance matrix	Topological Distance Matrix descriptor	2D	125.152
PaDEL	VE1_D	Coefficient sum of the last eigenvector from topological distance matrix	Topological Distance Matrix descriptor	2D	0.158
PaDEL	VE2_D	Average coefficient sum of the last eigenvector from topological distance matrix	Topological Distance Matrix descriptor	2D	0.008
PaDEL	VE3_D	Logarithmic coefficient sum of the last eigenvector from topological distance matrix	Topological Distance Matrix descriptor	2D	-3.685
PaDEL	VR1_D	Randic-like eigenvector-based index from topological distance matrix	Topological Distance Matrix descriptor	2D	160.799
PaDEL	VR2_D	Normalized Randic-like eigenvector-based index from topological distance matrix	Topological Distance Matrix descriptor	2D	8.04
PaDEL	VR3_D	Logarithmic Randic-like eigenvector-based index from topological distance matrix	Topological Distance Matrix descriptor	2D	10.16
PaDEL	TopoPSA	Topological polar surface area	TPSA descriptor	2D	52.6
PaDEL	VABC	Van der Waals volume calculated using the method proposed in [Zhao, Yuan H. and Abraham, Michael H. and Zissimos, Andreas M., Fast Calculation of van der Waals Volume as a Sum of Atomic and Bond Contributions and Its Application to Drug Compounds, The Journal of Organic Chemistry, 2003, 68:7368-7373]	VABC descriptor	2D	312.544
PaDEL	VAdjMat	Vertex adjacency information (magnitude)	VAdjMa descriptor	2D	5.322
PaDEL	MWC2	Molecular walk count of order 2	WalkCount descriptor	2D	4.369
PaDEL	MWC3	Molecular walk count of order 3	WalkCount descriptor	2D	5.069
PaDEL	MWC4	Molecular walk count of order 4	WalkCount descriptor	2D	5.79
PaDEL	MWC5	Molecular walk count of order 5	WalkCount descriptor	2D	6.512
PaDEL	MWC6	Molecular walk count of order 6	WalkCount descriptor	2D	7.242
PaDEL	MWC7	Molecular walk count of order 7	WalkCount descriptor	2D	7.974
PaDEL	MWC8	Molecular walk count of order 8	WalkCount descriptor	2D	8.711
PaDEL	MWC9	Molecular walk count of order 9	WalkCount descriptor	2D	9.449
PaDEL	MWC10	Molecular walk count of order 10	WalkCount descriptor	2D	10.191
PaDEL	TWC	Total walk count (up to order 10)	WalkCount descriptor	2D	104.308
PaDEL	SRW2	Self-returning walk count of order 2	WalkCount descriptor	2D	3.664
PaDEL	SRW3	Self-returning walk count of order 3	WalkCount descriptor	2D	0
PaDEL	SRW4	Self-returning walk count of order 4	WalkCount descriptor	2D	4.779
PaDEL	SRW5	Self-returning walk count of order 5	WalkCount descriptor	2D	0
PaDEL	SRW6	Self-returning walk count of order 6	WalkCount descriptor	2D	6.047
PaDEL	SRW7	Self-returning walk count of order 7	WalkCount descriptor	2D	0
PaDEL	SRW8	Self-returning walk count of order 8	WalkCount descriptor	2D	7.392
PaDEL	SRW9	Self-returning walk count of order 9	WalkCount descriptor	2D	0
PaDEL	SRW10	Self-returning walk count of order 10	WalkCount descriptor	2D	8.784
PaDEL	TSRW	Total self-return walk count	WalkCount descriptor	2D	9.077
PaDEL	MW	Molecular weight	PaDEL Weight descriptor	2D	284.199
PaDEL	AMW	Average molecular weight (Molecular weight / Total number of atoms)	PaDEL Weight descriptor	2D	5.921
PaDEL	WTPT-1	Molecular ID	PaDEL Weighted Path descriptor	2D	38.471
PaDEL	WTPT-2	Molecular ID / number of atoms	PaDEL Weighted Path descriptor	2D	1.924
PaDEL	WTPT-3	Sum of path lengths starting from heteroatoms	PaDEL Weighted Path descriptor	2D	10.858
PaDEL	WTPT-4	Sum of path lengths starting from oxygens	PaDEL Weighted Path descriptor	2D	10.858
PaDEL	WTPT-5	Sum of path lengths starting from nitrogens	PaDEL Weighted Path descriptor	2D	0
PaDEL	WPATH	Weiner path number	Wiener Numbers descriptor	2D	1202
PaDEL	WPOL	Weiner polarity number	Wiener Numbers descriptor	2D	20
PaDEL	XLogP	XLogP	XLogP descriptor	2D	5.902
PaDEL	Zagreb	Sum of the squares of atom degree over all heavy atoms i	Zagreb Index descriptor	2D	78
PaDEL	TDB1u	3D topological distance based autocorrelation - lag 1 / unweighted	Auto correlation 3D descriptor	3D	1.24
PaDEL	TDB2u	3D topological distance based autocorrelation - lag 2 / unweighted	Auto correlation 3D descriptor	3D	2.153
PaDEL	TDB3u	3D topological distance based autocorrelation - lag 3 / unweighted	Auto correlation 3D descriptor	3D	2.919
PaDEL	TDB4u	3D topological distance based autocorrelation - lag 4 / unweighted	Auto correlation 3D descriptor	3D	3.742
PaDEL	TDB5u	3D topological distance based autocorrelation - lag 5 / unweighted	Auto correlation 3D descriptor	3D	5.068
PaDEL	TDB6u	3D topological distance based autocorrelation - lag 6 / unweighted	Auto correlation 3D descriptor	3D	6.135
PaDEL	TDB7u	3D topological distance based autocorrelation - lag 7 / unweighted	Auto correlation 3D descriptor	3D	7.408
PaDEL	TDB8u	3D topological distance based autocorrelation - lag 8 / unweighted	Auto correlation 3D descriptor	3D	8.537
PaDEL	TDB9u	3D topological distance based autocorrelation - lag 9 / unweighted	Auto correlation 3D descriptor	3D	9.789
PaDEL	TDB10u	3D topological distance based autocorrelation - lag 10 / unweighted	Auto correlation 3D descriptor	3D	10.953
PaDEL	TDB1m	3D topological distance based autocorrelation - lag 1 / weighted by mass	Auto correlation 3D descriptor	3D	100.813
PaDEL	TDB2m	3D topological distance based autocorrelation - lag 2 / weighted by mass	Auto correlation 3D descriptor	3D	112.422
PaDEL	TDB3m	3D topological distance based autocorrelation - lag 3 / weighted by mass	Auto correlation 3D descriptor	3D	122.85
PaDEL	TDB4m	3D topological distance based autocorrelation - lag 4 / weighted by mass	Auto correlation 3D descriptor	3D	152.129
PaDEL	TDB5m	3D topological distance based autocorrelation - lag 5 / weighted by mass	Auto correlation 3D descriptor	3D	197.587
PaDEL	TDB6m	3D topological distance based autocorrelation - lag 6 / weighted by mass	Auto correlation 3D descriptor	3D	233.073
PaDEL	TDB7m	3D topological distance based autocorrelation - lag 7 / weighted by mass	Auto correlation 3D descriptor	3D	252.87
PaDEL	TDB8m	3D topological distance based autocorrelation - lag 8 / weighted by mass	Auto correlation 3D descriptor	3D	291.992
PaDEL	TDB9m	3D topological distance based autocorrelation - lag 9 / weighted by mass	Auto correlation 3D descriptor	3D	324.086
PaDEL	TDB10m	3D topological distance based autocorrelation - lag 10 / weighted by mass	Auto correlation 3D descriptor	3D	375.167
PaDEL	TDB1v	3D topological distance based autocorrelation - lag 1 / weighted by van der Waals volumes	Auto correlation 3D descriptor	3D	303.226
PaDEL	TDB2v	3D topological distance based autocorrelation - lag 2 / weighted by van der Waals volumes	Auto correlation 3D descriptor	3D	363.171
PaDEL	TDB3v	3D topological distance based autocorrelation - lag 3 / weighted by van der Waals volumes	Auto correlation 3D descriptor	3D	395.957
PaDEL	TDB4v	3D topological distance based autocorrelation - lag 4 / weighted by van der Waals volumes	Auto correlation 3D descriptor	3D	535.858
PaDEL	TDB5v	3D topological distance based autocorrelation - lag 5 / weighted by van der Waals volumes	Auto correlation 3D descriptor	3D	695.391
PaDEL	TDB6v	3D topological distance based autocorrelation - lag 6 / weighted by van der Waals volumes	Auto correlation 3D descriptor	3D	841.961
PaDEL	TDB7v	3D topological distance based autocorrelation - lag 7 / weighted by van der Waals volumes	Auto correlation 3D descriptor	3D	967.603
PaDEL	TDB8v	3D topological distance based autocorrelation - lag 8 / weighted by van der Waals volumes	Auto correlation 3D descriptor	3D	1120.064
PaDEL	TDB9v	3D topological distance based autocorrelation - lag 9 / weighted by van der Waals volumes	Auto correlation 3D descriptor	3D	1231.277
PaDEL	TDB10v	3D topological distance based autocorrelation - lag 10 / weighted by van der Waals volumes	Auto correlation 3D descriptor	3D	1386.818
PaDEL	TDB1e	3D topological distance based autocorrelation - lag 1 / weighted by Sanderson electronegativities	Auto correlation 3D descriptor	3D	9.499
PaDEL	TDB2e	3D topological distance based autocorrelation - lag 2 / weighted by Sanderson electronegativities	Auto correlation 3D descriptor	3D	16.391
PaDEL	TDB3e	3D topological distance based autocorrelation - lag 3 / weighted by Sanderson electronegativities	Auto correlation 3D descriptor	3D	21.662
PaDEL	TDB4e	3D topological distance based autocorrelation - lag 4 / weighted by Sanderson electronegativities	Auto correlation 3D descriptor	3D	27.814
PaDEL	TDB5e	3D topological distance based autocorrelation - lag 5 / weighted by Sanderson electronegativities	Auto correlation 3D descriptor	3D	38.268
PaDEL	TDB6e	3D topological distance based autocorrelation - lag 6 / weighted by Sanderson electronegativities	Auto correlation 3D descriptor	3D	46.256
PaDEL	TDB7e	3D topological distance based autocorrelation - lag 7 / weighted by Sanderson electronegativities	Auto correlation 3D descriptor	3D	55.516
PaDEL	TDB8e	3D topological distance based autocorrelation - lag 8 / weighted by Sanderson electronegativities	Auto correlation 3D descriptor	3D	63.38
PaDEL	TDB9e	3D topological distance based autocorrelation - lag 9 / weighted by Sanderson electronegativities	Auto correlation 3D descriptor	3D	72.805
PaDEL	TDB10e	3D topological distance based autocorrelation - lag 10 / weighted by Sanderson electronegativities	Auto correlation 3D descriptor	3D	82.11
PaDEL	TDB1p	3D topological distance based autocorrelation - lag 1 / weighted by polarizabilities	Auto correlation 3D descriptor	3D	2.119
PaDEL	TDB2p	3D topological distance based autocorrelation - lag 2 / weighted by polarizabilities	Auto correlation 3D descriptor	3D	2.736
PaDEL	TDB3p	3D topological distance based autocorrelation - lag 3 / weighted by polarizabilities	Auto correlation 3D descriptor	3D	3.116
PaDEL	TDB4p	3D topological distance based autocorrelation - lag 4 / weighted by polarizabilities	Auto correlation 3D descriptor	3D	4.171
PaDEL	TDB5p	3D topological distance based autocorrelation - lag 5 / weighted by polarizabilities	Auto correlation 3D descriptor	3D	5.377
PaDEL	TDB6p	3D topological distance based autocorrelation - lag 6 / weighted by polarizabilities	Auto correlation 3D descriptor	3D	6.567
PaDEL	TDB7p	3D topological distance based autocorrelation - lag 7 / weighted by polarizabilities	Auto correlation 3D descriptor	3D	7.697
PaDEL	TDB8p	3D topological distance based autocorrelation - lag 8 / weighted by polarizabilities	Auto correlation 3D descriptor	3D	8.987
PaDEL	TDB9p	3D topological distance based autocorrelation - lag 9 / weighted by polarizabilities	Auto correlation 3D descriptor	3D	9.892
PaDEL	TDB10p	3D topological distance based autocorrelation - lag 10 / weighted by polarizabilities	Auto correlation 3D descriptor	3D	11.013
PaDEL	TDB1i	3D topological distance based autocorrelation - lag 1 / weighted by first ionization potential	Auto correlation 3D descriptor	3D	178.942
PaDEL	TDB2i	3D topological distance based autocorrelation - lag 2 / weighted by first ionization potential	Auto correlation 3D descriptor	3D	335.026
PaDEL	TDB3i	3D topological distance based autocorrelation - lag 3 / weighted by first ionization potential	Auto correlation 3D descriptor	3D	477.614
PaDEL	TDB4i	3D topological distance based autocorrelation - lag 4 / weighted by first ionization potential	Auto correlation 3D descriptor	3D	604.097
PaDEL	TDB5i	3D topological distance based autocorrelation - lag 5 / weighted by first ionization potential	Auto correlation 3D descriptor	3D	829.043
PaDEL	TDB6i	3D topological distance based autocorrelation - lag 6 / weighted by first ionization potential	Auto correlation 3D descriptor	3D	998.993
PaDEL	TDB7i	3D topological distance based autocorrelation - lag 7 / weighted by first ionization potential	Auto correlation 3D descriptor	3D	1217.014
PaDEL	TDB8i	3D topological distance based autocorrelation - lag 8 / weighted by first ionization potential	Auto correlation 3D descriptor	3D	1393.414
PaDEL	TDB9i	3D topological distance based autocorrelation - lag 9 / weighted by first ionization potential	Auto correlation 3D descriptor	3D	1613.033
PaDEL	TDB10i	3D topological distance based autocorrelation - lag 10 / weighted by first ionization potential	Auto correlation 3D descriptor	3D	1806.94
PaDEL	TDB1s	3D topological distance based autocorrelation - lag 1 / weighted by I-state	Auto correlation 3D descriptor	3D	3.464
PaDEL	TDB2s	3D topological distance based autocorrelation - lag 2 / weighted by I-state	Auto correlation 3D descriptor	3D	6.038
PaDEL	TDB3s	3D topological distance based autocorrelation - lag 3 / weighted by I-state	Auto correlation 3D descriptor	3D	8.13
PaDEL	TDB4s	3D topological distance based autocorrelation - lag 4 / weighted by I-state	Auto correlation 3D descriptor	3D	8.59
PaDEL	TDB5s	3D topological distance based autocorrelation - lag 5 / weighted by I-state	Auto correlation 3D descriptor	3D	13.261
PaDEL	TDB6s	3D topological distance based autocorrelation - lag 6 / weighted by I-state	Auto correlation 3D descriptor	3D	15.72
PaDEL	TDB7s	3D topological distance based autocorrelation - lag 7 / weighted by I-state	Auto correlation 3D descriptor	3D	17.043
PaDEL	TDB8s	3D topological distance based autocorrelation - lag 8 / weighted by I-state	Auto correlation 3D descriptor	3D	19.155
PaDEL	TDB9s	3D topological distance based autocorrelation - lag 9 / weighted by I-state	Auto correlation 3D descriptor	3D	22.372
PaDEL	TDB10s	3D topological distance based autocorrelation - lag 10 / weighted by I-state	Auto correlation 3D descriptor	3D	26.373
PaDEL	TDB1r	3D topological distance based autocorrelation - lag 1 / weighted by covalent radius	Auto correlation 3D descriptor	3D	0.473
PaDEL	TDB2r	3D topological distance based autocorrelation - lag 2 / weighted by covalent radius	Auto correlation 3D descriptor	3D	0.633
PaDEL	TDB3r	3D topological distance based autocorrelation - lag 3 / weighted by covalent radius	Auto correlation 3D descriptor	3D	0.72
PaDEL	TDB4r	3D topological distance based autocorrelation - lag 4 / weighted by covalent radius	Auto correlation 3D descriptor	3D	0.964
PaDEL	TDB5r	3D topological distance based autocorrelation - lag 5 / weighted by covalent radius	Auto correlation 3D descriptor	3D	1.273
PaDEL	TDB6r	3D topological distance based autocorrelation - lag 6 / weighted by covalent radius	Auto correlation 3D descriptor	3D	1.547
PaDEL	TDB7r	3D topological distance based autocorrelation - lag 7 / weighted by covalent radius	Auto correlation 3D descriptor	3D	1.797
PaDEL	TDB8r	3D topological distance based autocorrelation - lag 8 / weighted by covalent radius	Auto correlation 3D descriptor	3D	2.079
PaDEL	TDB9r	3D topological distance based autocorrelation - lag 9 / weighted by covalent radius	Auto correlation 3D descriptor	3D	2.314
PaDEL	TDB10r	3D topological distance based autocorrelation - lag 10 / weighted by covalent radius	Auto correlation 3D descriptor	3D	2.609
PaDEL	PPSA-1	Partial positive surface area -- sum of surface area on positive parts of molecule	CPSA descriptor	3D	666.621
PaDEL	PPSA-2	Partial positive surface area * total positive charge on the molecule	CPSA descriptor	3D	1203.361
PaDEL	PPSA-3	Charge weighted partial positive surface area	CPSA descriptor	3D	36.026
PaDEL	PNSA-1	Partial negative surface area -- sum of surface area on negative parts of molecule	CPSA descriptor	3D	234.481
PaDEL	PNSA-2	Partial negative surface area * total negative charge on the molecule	CPSA descriptor	3D	-423.278
PaDEL	PNSA-3	Charge weighted partial negative surface area	CPSA descriptor	3D	-36.35
PaDEL	DPSA-1	Difference of PPSA-1 and PNSA-1	CPSA descriptor	3D	432.14
PaDEL	DPSA-2	Difference of FPSA-2 and PNSA-2	CPSA descriptor	3D	1626.639
PaDEL	DPSA-3	Difference of PPSA-3 and PNSA-3	CPSA descriptor	3D	72.375
PaDEL	FPSA-1	PPSA-1 / total molecular surface area	CPSA descriptor	3D	0.74
PaDEL	FPSA-2	PPSA-2 / total molecular surface area	CPSA descriptor	3D	1.335
PaDEL	FPSA-3	PPSA-3 / total molecular surface area	CPSA descriptor	3D	0.04
PaDEL	FNSA-1	PNSA-1 / total molecular surface area	CPSA descriptor	3D	0.26
PaDEL	FNSA-2	PNSA-2 / total molecular surface area	CPSA descriptor	3D	-0.47
PaDEL	FNSA-3	PNSA-3 / total molecular surface area	CPSA descriptor	3D	-0.04
PaDEL	WPSA-1	PPSA-1 * total molecular surface area / 1000	CPSA descriptor	3D	600.694
PaDEL	WPSA-2	PPSA-2 * total molecular surface area /1000	CPSA descriptor	3D	1084.352
PaDEL	WPSA-3	PPSA-3 * total molecular surface area / 1000	CPSA descriptor	3D	32.463
PaDEL	WNSA-1	PNSA-1 * total molecular surface area /1000	CPSA descriptor	3D	211.292
PaDEL	WNSA-2	PNSA-2 * total molecular surface area / 1000	CPSA descriptor	3D	-381.417
PaDEL	WNSA-3	PNSA-3 * total molecular surface area / 1000	CPSA descriptor	3D	-32.755
PaDEL	RPCG	Relative positive charge -- most positive charge / total positive charge	CPSA descriptor	3D	0.199
PaDEL	RNCG	Relative negative charge -- most negative charge / total negative charge	CPSA descriptor	3D	0.17
PaDEL	RPCS	Relative positive charge surface area -- most positive surface area * RPCG	CPSA descriptor	3D	1.54
PaDEL	RNCS	Relative negative charge surface area -- most negative surface area * RNCG	CPSA descriptor	3D	1.456
PaDEL	THSA	Sum of solvent accessible surface areas of atoms with absolute value of partial charges less than 0.2	CPSA descriptor	3D	762.099
PaDEL	TPSA	Topological polar surface area	Molecular property descriptor	2D	139.003
PaDEL	RHSA	THSA / total molecular surface area	CPSA descriptor	3D	0.846
PaDEL	RPSA	TPSA / total molecular surface area	CPSA descriptor	3D	0.154
PaDEL	GRAV-1	Gravitational index of heavy atoms	Gravitational Index descriptor	3D	1483.071
PaDEL	GRAV-2	Square root of gravitational index of heavy atoms	Gravitational Index descriptor	3D	38.511
PaDEL	GRAV-3	Cube root of gravitational index of heavy atoms	Gravitational Index descriptor	3D	11.404
PaDEL	GRAVH-1	Gravitational index - hydrogens included	Gravitational Index descriptor	3D	1763.109
PaDEL	GRAVH-2	Square root of hydrogen-included gravitational index	Gravitational Index descriptor	3D	41.989
PaDEL	GRAVH-3	Cube root of hydrogen-included gravitational index	Gravitational Index descriptor	3D	12.081
PaDEL	GRAV-4	Gravitational index of all pairs of atoms (not just bonded pairs)	Gravitational Index descriptor	3D	2740.632
PaDEL	GRAV-5	Square root of gravitational index of all pairs of atoms (not just bonded pairs)	Gravitational Index descriptor	3D	52.351
PaDEL	GRAV-6	Cube root of gravitational index of all pairs of atoms (not just bonded pairs)	Gravitational Index descriptor	3D	13.994
PaDEL	LOBMAX	The maximum L/B ratio	Length Over Breadth descriptor	3D	4.762
PaDEL	LOBMIN	The L/B ratio for the rotation that results in the minimum area	Length Over Breadth descriptor	3D	4.762
PaDEL	MOMI-X	Moment of inertia along X axis	Moment Of Inertia descriptor	3D	11287.886
PaDEL	MOMI-Y	Moment of inertia along Y axis	Moment Of Inertia descriptor	3D	11161.872
PaDEL	MOMI-Z	Moment of inertia along Z axis	Moment Of Inertia descriptor	3D	199.833
PaDEL	MOMI-XY	X/Y	Moment Of Inertia descriptor	3D	1.011
PaDEL	MOMI-XZ	X/Z	Moment Of Inertia descriptor	3D	56.487
PaDEL	MOMI-YZ	Y/Z	Moment Of Inertia descriptor	3D	55.856
PaDEL	MOMI-R	Radius of gyration	Moment Of Inertia descriptor	3D	8.05
PaDEL	geomRadius	Geometrical radius (minimum geometric eccentricity)	PaDEL Petitjean Shape Index descriptor	3D	11.35
PaDEL	geomDiameter	Geometrical diameter	PaDEL Petitjean Shape Index descriptor	3D	22.482
PaDEL	geomShape	Petitjean geometric shape index	PaDEL Petitjean Shape Index descriptor	3D	0.981
PaDEL	RDF10u	Radial distribution function - 010 / unweighted	RDF descriptor	3D	11.302
PaDEL	RDF15u	Radial distribution function - 015 / unweighted	RDF descriptor	3D	12.611
PaDEL	RDF20u	Radial distribution function - 020 / unweighted	RDF descriptor	3D	7.849
PaDEL	RDF25u	Radial distribution function - 025 / unweighted	RDF descriptor	3D	44.591
PaDEL	RDF30u	Radial distribution function - 030 / unweighted	RDF descriptor	3D	22.258
PaDEL	RDF35u	Radial distribution function - 035 / unweighted	RDF descriptor	3D	6.088
PaDEL	RDF40u	Radial distribution function - 040 / unweighted	RDF descriptor	3D	15.392
PaDEL	RDF45u	Radial distribution function - 045 / unweighted	RDF descriptor	3D	12.74
PaDEL	RDF50u	Radial distribution function - 050 / unweighted	RDF descriptor	3D	9.578
PaDEL	RDF55u	Radial distribution function - 055 / unweighted	RDF descriptor	3D	10.336
PaDEL	RDF60u	Radial distribution function - 060 / unweighted	RDF descriptor	3D	6.301
PaDEL	RDF65u	Radial distribution function - 065 / unweighted	RDF descriptor	3D	13.915
PaDEL	RDF70u	Radial distribution function - 070 / unweighted	RDF descriptor	3D	18.886
PaDEL	RDF75u	Radial distribution function - 075 / unweighted	RDF descriptor	3D	4.529
PaDEL	RDF80u	Radial distribution function - 080 / unweighted	RDF descriptor	3D	7.754
PaDEL	RDF85u	Radial distribution function - 085 / unweighted	RDF descriptor	3D	8.513
PaDEL	RDF90u	Radial distribution function - 090 / unweighted	RDF descriptor	3D	11.347
PaDEL	RDF95u	Radial distribution function - 095 / unweighted	RDF descriptor	3D	9.416
PaDEL	RDF100u	Radial distribution function - 100 / unweighted	RDF descriptor	3D	5.602
PaDEL	RDF105u	Radial distribution function - 105 / unweighted	RDF descriptor	3D	8.536
PaDEL	RDF110u	Radial distribution function - 110 / unweighted	RDF descriptor	3D	6.373
PaDEL	RDF115u	Radial distribution function - 115 / unweighted	RDF descriptor	3D	7.046
PaDEL	RDF120u	Radial distribution function - 120 / unweighted	RDF descriptor	3D	3.644
PaDEL	RDF125u	Radial distribution function - 125 / unweighted	RDF descriptor	3D	5.613
PaDEL	RDF130u	Radial distribution function - 130 / unweighted	RDF descriptor	3D	5.167
PaDEL	RDF135u	Radial distribution function - 135 / unweighted	RDF descriptor	3D	5.879
PaDEL	RDF140u	Radial distribution function - 140 / unweighted	RDF descriptor	3D	6.368
PaDEL	RDF145u	Radial distribution function - 145 / unweighted	RDF descriptor	3D	2.791
PaDEL	RDF150u	Radial distribution function - 150 / unweighted	RDF descriptor	3D	5.925
PaDEL	RDF155u	Radial distribution function - 155 / unweighted	RDF descriptor	3D	2.322
PaDEL	RDF10m	Radial distribution function - 010 / weighted by relative mass	RDF descriptor	3D	0.972
PaDEL	RDF15m	Radial distribution function - 015 / weighted by relative mass	RDF descriptor	3D	13.052
PaDEL	RDF20m	Radial distribution function - 020 / weighted by relative mass	RDF descriptor	3D	0.714
PaDEL	RDF25m	Radial distribution function - 025 / weighted by relative mass	RDF descriptor	3D	10.472
PaDEL	RDF30m	Radial distribution function - 030 / weighted by relative mass	RDF descriptor	3D	0.232
PaDEL	RDF35m	Radial distribution function - 035 / weighted by relative mass	RDF descriptor	3D	5.141
PaDEL	RDF40m	Radial distribution function - 040 / weighted by relative mass	RDF descriptor	3D	8.461
PaDEL	RDF45m	Radial distribution function - 045 / weighted by relative mass	RDF descriptor	3D	0.895
PaDEL	RDF50m	Radial distribution function - 050 / weighted by relative mass	RDF descriptor	3D	3.106
PaDEL	RDF55m	Radial distribution function - 055 / weighted by relative mass	RDF descriptor	3D	0.171
PaDEL	RDF60m	Radial distribution function - 060 / weighted by relative mass	RDF descriptor	3D	2.44
PaDEL	RDF65m	Radial distribution function - 065 / weighted by relative mass	RDF descriptor	3D	6.307
PaDEL	RDF70m	Radial distribution function - 070 / weighted by relative mass	RDF descriptor	3D	2.343
PaDEL	RDF75m	Radial distribution function - 075 / weighted by relative mass	RDF descriptor	3D	2.233
PaDEL	RDF80m	Radial distribution function - 080 / weighted by relative mass	RDF descriptor	3D	1.128
PaDEL	RDF85m	Radial distribution function - 085 / weighted by relative mass	RDF descriptor	3D	2.244
PaDEL	RDF90m	Radial distribution function - 090 / weighted by relative mass	RDF descriptor	3D	4.446
PaDEL	RDF95m	Radial distribution function - 095 / weighted by relative mass	RDF descriptor	3D	1.293
PaDEL	RDF100m	Radial distribution function - 100 / weighted by relative mass	RDF descriptor	3D	1.825
PaDEL	RDF105m	Radial distribution function - 105 / weighted by relative mass	RDF descriptor	3D	1.229
PaDEL	RDF110m	Radial distribution function - 110 / weighted by relative mass	RDF descriptor	3D	2.664
PaDEL	RDF115m	Radial distribution function - 115 / weighted by relative mass	RDF descriptor	3D	2.79
PaDEL	RDF120m	Radial distribution function - 120 / weighted by relative mass	RDF descriptor	3D	0.305
PaDEL	RDF125m	Radial distribution function - 125 / weighted by relative mass	RDF descriptor	3D	1.188
PaDEL	RDF130m	Radial distribution function - 130 / weighted by relative mass	RDF descriptor	3D	0.841
PaDEL	RDF135m	Radial distribution function - 135 / weighted by relative mass	RDF descriptor	3D	2.298
PaDEL	RDF140m	Radial distribution function - 140 / weighted by relative mass	RDF descriptor	3D	1.621
PaDEL	RDF145m	Radial distribution function - 145 / weighted by relative mass	RDF descriptor	3D	0.339
PaDEL	RDF150m	Radial distribution function - 150 / weighted by relative mass	RDF descriptor	3D	2.018
PaDEL	RDF155m	Radial distribution function - 155 / weighted by relative mass	RDF descriptor	3D	0.611
PaDEL	RDF10v	Radial distribution function - 010 / weighted by relative van der Waals volumes	RDF descriptor	3D	3.07
PaDEL	RDF15v	Radial distribution function - 015 / weighted by relative van der Waals volumes	RDF descriptor	3D	12.207
PaDEL	RDF20v	Radial distribution function - 020 / weighted by relative van der Waals volumes	RDF descriptor	3D	1.89
PaDEL	RDF25v	Radial distribution function - 025 / weighted by relative van der Waals volumes	RDF descriptor	3D	11.316
PaDEL	RDF30v	Radial distribution function - 030 / weighted by relative van der Waals volumes	RDF descriptor	3D	1.817
PaDEL	RDF35v	Radial distribution function - 035 / weighted by relative van der Waals volumes	RDF descriptor	3D	2.605
PaDEL	RDF40v	Radial distribution function - 040 / weighted by relative van der Waals volumes	RDF descriptor	3D	8.71
PaDEL	RDF45v	Radial distribution function - 045 / weighted by relative van der Waals volumes	RDF descriptor	3D	1.725
PaDEL	RDF50v	Radial distribution function - 050 / weighted by relative van der Waals volumes	RDF descriptor	3D	3.311
PaDEL	RDF55v	Radial distribution function - 055 / weighted by relative van der Waals volumes	RDF descriptor	3D	0.916
PaDEL	RDF60v	Radial distribution function - 060 / weighted by relative van der Waals volumes	RDF descriptor	3D	2.659
PaDEL	RDF65v	Radial distribution function - 065 / weighted by relative van der Waals volumes	RDF descriptor	3D	7.284
PaDEL	RDF70v	Radial distribution function - 070 / weighted by relative van der Waals volumes	RDF descriptor	3D	3.539
PaDEL	RDF75v	Radial distribution function - 075 / weighted by relative van der Waals volumes	RDF descriptor	3D	2.099
PaDEL	RDF80v	Radial distribution function - 080 / weighted by relative van der Waals volumes	RDF descriptor	3D	1.762
PaDEL	RDF85v	Radial distribution function - 085 / weighted by relative van der Waals volumes	RDF descriptor	3D	2.653
PaDEL	RDF90v	Radial distribution function - 090 / weighted by relative van der Waals volumes	RDF descriptor	3D	5.176
PaDEL	RDF95v	Radial distribution function - 095 / weighted by relative van der Waals volumes	RDF descriptor	3D	1.989
PaDEL	RDF100v	Radial distribution function - 100 / weighted by relative van der Waals volumes	RDF descriptor	3D	2.123
PaDEL	RDF105v	Radial distribution function - 105 / weighted by relative van der Waals volumes	RDF descriptor	3D	2.016
PaDEL	RDF110v	Radial distribution function - 110 / weighted by relative van der Waals volumes	RDF descriptor	3D	2.688
PaDEL	RDF115v	Radial distribution function - 115 / weighted by relative van der Waals volumes	RDF descriptor	3D	2.905
PaDEL	RDF120v	Radial distribution function - 120 / weighted by relative van der Waals volumes	RDF descriptor	3D	0.635
PaDEL	RDF125v	Radial distribution function - 125 / weighted by relative van der Waals volumes	RDF descriptor	3D	1.663
PaDEL	RDF130v	Radial distribution function - 130 / weighted by relative van der Waals volumes	RDF descriptor	3D	1.208
PaDEL	RDF135v	Radial distribution function - 135 / weighted by relative van der Waals volumes	RDF descriptor	3D	2.646
PaDEL	RDF140v	Radial distribution function - 140 / weighted by relative van der Waals volumes	RDF descriptor	3D	1.87
PaDEL	RDF145v	Radial distribution function - 145 / weighted by relative van der Waals volumes	RDF descriptor	3D	0.669
PaDEL	RDF150v	Radial distribution function - 150 / weighted by relative van der Waals volumes	RDF descriptor	3D	2.318
PaDEL	RDF155v	Radial distribution function - 155 / weighted by relative van der Waals volumes	RDF descriptor	3D	0.634
PaDEL	RDF10e	Radial distribution function - 010 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	10.675
PaDEL	RDF15e	Radial distribution function - 015 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	13.062
PaDEL	RDF20e	Radial distribution function - 020 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	8.192
PaDEL	RDF25e	Radial distribution function - 025 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	41.868
PaDEL	RDF30e	Radial distribution function - 030 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	19.882
PaDEL	RDF35e	Radial distribution function - 035 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	7.642
PaDEL	RDF40e	Radial distribution function - 040 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	15.983
PaDEL	RDF45e	Radial distribution function - 045 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	13.016
PaDEL	RDF50e	Radial distribution function - 050 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	10.083
PaDEL	RDF55e	Radial distribution function - 055 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	9.255
PaDEL	RDF60e	Radial distribution function - 060 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	7.176
PaDEL	RDF65e	Radial distribution function - 065 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	14.492
PaDEL	RDF70e	Radial distribution function - 070 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	17.872
PaDEL	RDF75e	Radial distribution function - 075 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	4.741
PaDEL	RDF80e	Radial distribution function - 080 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	7.098
PaDEL	RDF85e	Radial distribution function - 085 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	8.832
PaDEL	RDF90e	Radial distribution function - 090 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	11.8
PaDEL	RDF95e	Radial distribution function - 095 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	8.679
PaDEL	RDF100e	Radial distribution function - 100 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	5.646
PaDEL	RDF105e	Radial distribution function - 105 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	7.856
PaDEL	RDF110e	Radial distribution function - 110 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	6.599
PaDEL	RDF115e	Radial distribution function - 115 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	7.483
PaDEL	RDF120e	Radial distribution function - 120 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	3.384
PaDEL	RDF125e	Radial distribution function - 125 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	5.521
PaDEL	RDF130e	Radial distribution function - 130 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	4.993
PaDEL	RDF135e	Radial distribution function - 135 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	5.931
PaDEL	RDF140e	Radial distribution function - 140 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	6.773
PaDEL	RDF145e	Radial distribution function - 145 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	2.644
PaDEL	RDF150e	Radial distribution function - 150 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	6.34
PaDEL	RDF155e	Radial distribution function - 155 / weighted by relative Sanderson electronegativities	RDF descriptor	3D	2.617
PaDEL	RDF10p	Radial distribution function - 010 / weighted by relative polarizabilities	RDF descriptor	3D	4.514
PaDEL	RDF15p	Radial distribution function - 015 / weighted by relative polarizabilities	RDF descriptor	3D	11.887
PaDEL	RDF20p	Radial distribution function - 020 / weighted by relative polarizabilities	RDF descriptor	3D	2.557
PaDEL	RDF25p	Radial distribution function - 025 / weighted by relative polarizabilities	RDF descriptor	3D	13.873
PaDEL	RDF30p	Radial distribution function - 030 / weighted by relative polarizabilities	RDF descriptor	3D	3.769
PaDEL	RDF35p	Radial distribution function - 035 / weighted by relative polarizabilities	RDF descriptor	3D	2.206
PaDEL	RDF40p	Radial distribution function - 040 / weighted by relative polarizabilities	RDF descriptor	3D	9.133
PaDEL	RDF45p	Radial distribution function - 045 / weighted by relative polarizabilities	RDF descriptor	3D	2.388
PaDEL	RDF50p	Radial distribution function - 050 / weighted by relative polarizabilities	RDF descriptor	3D	3.603
PaDEL	RDF55p	Radial distribution function - 055 / weighted by relative polarizabilities	RDF descriptor	3D	1.823
PaDEL	RDF60p	Radial distribution function - 060 / weighted by relative polarizabilities	RDF descriptor	3D	2.717
PaDEL	RDF65p	Radial distribution function - 065 / weighted by relative polarizabilities	RDF descriptor	3D	7.842
PaDEL	RDF70p	Radial distribution function - 070 / weighted by relative polarizabilities	RDF descriptor	3D	4.847
PaDEL	RDF75p	Radial distribution function - 075 / weighted by relative polarizabilities	RDF descriptor	3D	2.168
PaDEL	RDF80p	Radial distribution function - 080 / weighted by relative polarizabilities	RDF descriptor	3D	2.41
PaDEL	RDF85p	Radial distribution function - 085 / weighted by relative polarizabilities	RDF descriptor	3D	3.056
PaDEL	RDF90p	Radial distribution function - 090 / weighted by relative polarizabilities	RDF descriptor	3D	5.627
PaDEL	RDF95p	Radial distribution function - 095 / weighted by relative polarizabilities	RDF descriptor	3D	2.728
PaDEL	RDF100p	Radial distribution function - 100 / weighted by relative polarizabilities	RDF descriptor	3D	2.411
PaDEL	RDF105p	Radial distribution function - 105 / weighted by relative polarizabilities	RDF descriptor	3D	2.763
PaDEL	RDF110p	Radial distribution function - 110 / weighted by relative polarizabilities	RDF descriptor	3D	2.892
PaDEL	RDF115p	Radial distribution function - 115 / weighted by relative polarizabilities	RDF descriptor	3D	3.072
PaDEL	RDF120p	Radial distribution function - 120 / weighted by relative polarizabilities	RDF descriptor	3D	0.949
PaDEL	RDF125p	Radial distribution function - 125 / weighted by relative polarizabilities	RDF descriptor	3D	2.052
PaDEL	RDF130p	Radial distribution function - 130 / weighted by relative polarizabilities	RDF descriptor	3D	1.572
PaDEL	RDF135p	Radial distribution function - 135 / weighted by relative polarizabilities	RDF descriptor	3D	2.968
PaDEL	RDF140p	Radial distribution function - 140 / weighted by relative polarizabilities	RDF descriptor	3D	2.13
PaDEL	RDF145p	Radial distribution function - 145 / weighted by relative polarizabilities	RDF descriptor	3D	0.93
PaDEL	RDF150p	Radial distribution function - 150 / weighted by relative polarizabilities	RDF descriptor	3D	2.526
PaDEL	RDF155p	Radial distribution function - 155 / weighted by relative polarizabilities	RDF descriptor	3D	0.654
PaDEL	RDF10i	Radial distribution function - 010 / weighted by relative first ionization potential	RDF descriptor	3D	13.648
PaDEL	RDF15i	Radial distribution function - 015 / weighted by relative first ionization potential	RDF descriptor	3D	12.904
PaDEL	RDF20i	Radial distribution function - 020 / weighted by relative first ionization potential	RDF descriptor	3D	10.172
PaDEL	RDF25i	Radial distribution function - 025 / weighted by relative first ionization potential	RDF descriptor	3D	61.162
PaDEL	RDF30i	Radial distribution function - 030 / weighted by relative first ionization potential	RDF descriptor	3D	32.23
PaDEL	RDF35i	Radial distribution function - 035 / weighted by relative first ionization potential	RDF descriptor	3D	8.011
PaDEL	RDF40i	Radial distribution function - 040 / weighted by relative first ionization potential	RDF descriptor	3D	17.959
PaDEL	RDF45i	Radial distribution function - 045 / weighted by relative first ionization potential	RDF descriptor	3D	18.457
PaDEL	RDF50i	Radial distribution function - 050 / weighted by relative first ionization potential	RDF descriptor	3D	12.532
PaDEL	RDF55i	Radial distribution function - 055 / weighted by relative first ionization potential	RDF descriptor	3D	14.903
PaDEL	RDF60i	Radial distribution function - 060 / weighted by relative first ionization potential	RDF descriptor	3D	8.121
PaDEL	RDF65i	Radial distribution function - 065 / weighted by relative first ionization potential	RDF descriptor	3D	16.78
PaDEL	RDF70i	Radial distribution function - 070 / weighted by relative first ionization potential	RDF descriptor	3D	26.391
PaDEL	RDF75i	Radial distribution function - 075 / weighted by relative first ionization potential	RDF descriptor	3D	5.583
PaDEL	RDF80i	Radial distribution function - 080 / weighted by relative first ionization potential	RDF descriptor	3D	10.484
PaDEL	RDF85i	Radial distribution function - 085 / weighted by relative first ionization potential	RDF descriptor	3D	11.072
PaDEL	RDF90i	Radial distribution function - 090 / weighted by relative first ionization potential	RDF descriptor	3D	14.2
PaDEL	RDF95i	Radial distribution function - 095 / weighted by relative first ionization potential	RDF descriptor	3D	12.927
PaDEL	RDF100i	Radial distribution function - 100 / weighted by relative first ionization potential	RDF descriptor	3D	7.101
PaDEL	RDF105i	Radial distribution function - 105 / weighted by relative first ionization potential	RDF descriptor	3D	11.394
PaDEL	RDF110i	Radial distribution function - 110 / weighted by relative first ionization potential	RDF descriptor	3D	7.885
PaDEL	RDF115i	Radial distribution function - 115 / weighted by relative first ionization potential	RDF descriptor	3D	8.994
PaDEL	RDF120i	Radial distribution function - 120 / weighted by relative first ionization potential	RDF descriptor	3D	5.019
PaDEL	RDF125i	Radial distribution function - 125 / weighted by relative first ionization potential	RDF descriptor	3D	7.339
PaDEL	RDF130i	Radial distribution function - 130 / weighted by relative first ionization potential	RDF descriptor	3D	6.958
PaDEL	RDF135i	Radial distribution function - 135 / weighted by relative first ionization potential	RDF descriptor	3D	7.085
PaDEL	RDF140i	Radial distribution function - 140 / weighted by relative first ionization potential	RDF descriptor	3D	8.331
PaDEL	RDF145i	Radial distribution function - 145 / weighted by relative first ionization potential	RDF descriptor	3D	3.655
PaDEL	RDF150i	Radial distribution function - 150 / weighted by relative first ionization potential	RDF descriptor	3D	7.547
PaDEL	RDF155i	Radial distribution function - 155 / weighted by relative first ionization potential	RDF descriptor	3D	3.201
PaDEL	RDF10s	Radial distribution function - 010 / weighted by relative I-state	RDF descriptor	3D	6.92
PaDEL	RDF15s	Radial distribution function - 015 / weighted by relative I-state	RDF descriptor	3D	12.39
PaDEL	RDF20s	Radial distribution function - 020 / weighted by relative I-state	RDF descriptor	3D	6.404
PaDEL	RDF25s	Radial distribution function - 025 / weighted by relative I-state	RDF descriptor	3D	29.86
PaDEL	RDF30s	Radial distribution function - 030 / weighted by relative I-state	RDF descriptor	3D	8.103
PaDEL	RDF35s	Radial distribution function - 035 / weighted by relative I-state	RDF descriptor	3D	26.058
PaDEL	RDF40s	Radial distribution function - 040 / weighted by relative I-state	RDF descriptor	3D	16.76
PaDEL	RDF45s	Radial distribution function - 045 / weighted by relative I-state	RDF descriptor	3D	14.25
PaDEL	RDF50s	Radial distribution function - 050 / weighted by relative I-state	RDF descriptor	3D	9.51
PaDEL	RDF55s	Radial distribution function - 055 / weighted by relative I-state	RDF descriptor	3D	4.007
PaDEL	RDF60s	Radial distribution function - 060 / weighted by relative I-state	RDF descriptor	3D	7.891
PaDEL	RDF65s	Radial distribution function - 065 / weighted by relative I-state	RDF descriptor	3D	13.864
PaDEL	RDF70s	Radial distribution function - 070 / weighted by relative I-state	RDF descriptor	3D	11.59
PaDEL	RDF75s	Radial distribution function - 075 / weighted by relative I-state	RDF descriptor	3D	4.127
PaDEL	RDF80s	Radial distribution function - 080 / weighted by relative I-state	RDF descriptor	3D	4.746
PaDEL	RDF85s	Radial distribution function - 085 / weighted by relative I-state	RDF descriptor	3D	6.843
PaDEL	RDF90s	Radial distribution function - 090 / weighted by relative I-state	RDF descriptor	3D	10.938
PaDEL	RDF95s	Radial distribution function - 095 / weighted by relative I-state	RDF descriptor	3D	5.147
PaDEL	RDF100s	Radial distribution function - 100 / weighted by relative I-state	RDF descriptor	3D	4.233
PaDEL	RDF105s	Radial distribution function - 105 / weighted by relative I-state	RDF descriptor	3D	5.285
PaDEL	RDF110s	Radial distribution function - 110 / weighted by relative I-state	RDF descriptor	3D	5.542
PaDEL	RDF115s	Radial distribution function - 115 / weighted by relative I-state	RDF descriptor	3D	6.775
PaDEL	RDF120s	Radial distribution function - 120 / weighted by relative I-state	RDF descriptor	3D	2.404
PaDEL	RDF125s	Radial distribution function - 125 / weighted by relative I-state	RDF descriptor	3D	3.717
PaDEL	RDF130s	Radial distribution function - 130 / weighted by relative I-state	RDF descriptor	3D	4.659
PaDEL	RDF135s	Radial distribution function - 135 / weighted by relative I-state	RDF descriptor	3D	4.873
PaDEL	RDF140s	Radial distribution function - 140 / weighted by relative I-state	RDF descriptor	3D	6.552
PaDEL	RDF145s	Radial distribution function - 145 / weighted by relative I-state	RDF descriptor	3D	2.445
PaDEL	RDF150s	Radial distribution function - 150 / weighted by relative I-state	RDF descriptor	3D	5.535
PaDEL	RDF155s	Radial distribution function - 155 / weighted by relative I-state	RDF descriptor	3D	4.707
PaDEL	L1u	1st component size directional WHIM index / unweighted	PaDEL WHIM descriptor	3D	42.972
PaDEL	L2u	2nd component size directional WHIM index / unweighted	PaDEL WHIM descriptor	3D	0.834
PaDEL	L3u	3rd component size directional WHIM index / unweighted	PaDEL WHIM descriptor	3D	0.516
PaDEL	P1u	1st component shape directional WHIM index / unweighted	PaDEL WHIM descriptor	3D	0.97
PaDEL	P2u	2nd component shape directional WHIM index / unweighted	PaDEL WHIM descriptor	3D	0.019
PaDEL	E1u	1st component accessibility directional WHIM index / unweighted	PaDEL WHIM descriptor	3D	0.532
PaDEL	E2u	2nd component accessibility directional WHIM index / unweighted	PaDEL WHIM descriptor	3D	0.586
PaDEL	E3u	3rd component accessibility directional WHIM index / unweighted	PaDEL WHIM descriptor	3D	0.471
PaDEL	Tu	T total size index / unweighted	PaDEL WHIM descriptor	3D	44.322
PaDEL	Au	A total size index / unweighted	PaDEL WHIM descriptor	3D	58.448
PaDEL	Vu	V total size index / unweighted	PaDEL WHIM descriptor	3D	121.261
PaDEL	Ku	K global shape index / unweighted	PaDEL WHIM descriptor	3D	0.954
PaDEL	Du	D total accessibility index / unweighted	PaDEL WHIM descriptor	3D	1.589
PaDEL	L1m	1st component size directional WHIM index / weighted by relative mass	PaDEL WHIM descriptor	3D	41.486
PaDEL	L2m	2nd component size directional WHIM index / weighted by relative mass	PaDEL WHIM descriptor	3D	0.573
PaDEL	L3m	3rd component size directional WHIM index / weighted by relative mass	PaDEL WHIM descriptor	3D	0.131
PaDEL	P1m	1st component shape directional WHIM index / weighted by relative mass	PaDEL WHIM descriptor	3D	0.983
PaDEL	P2m	2nd component shape directional WHIM index / weighted by relative mass	PaDEL WHIM descriptor	3D	0.014
PaDEL	E1m	1st component accessibility directional WHIM index / weighted by relative mass	PaDEL WHIM descriptor	3D	0.496
PaDEL	E2m	2nd component accessibility directional WHIM index / weighted by relative mass	PaDEL WHIM descriptor	3D	0.278
PaDEL	E3m	3rd component accessibility directional WHIM index / weighted by relative mass	PaDEL WHIM descriptor	3D	0.03
PaDEL	Tm	T total size index / weighted by relative mass	PaDEL WHIM descriptor	3D	42.19
PaDEL	Am	A total size index / weighted by relative mass	PaDEL WHIM descriptor	3D	29.275
PaDEL	Vm	V total size index / weighted by relative mass	PaDEL WHIM descriptor	3D	74.573
PaDEL	Km	K global shape index / weighted by relative mass	PaDEL WHIM descriptor	3D	0.975
PaDEL	Dm	D total accessibility index / weighted by relative mass	PaDEL WHIM descriptor	3D	0.804
PaDEL	L1v	1st component size directional WHIM index / weighted by relative van der Waals volumes	PaDEL WHIM descriptor	3D	42.32
PaDEL	L2v	2nd component size directional WHIM index / weighted by relative van der Waals volumes	PaDEL WHIM descriptor	3D	0.596
PaDEL	L3v	3rd component size directional WHIM index / weighted by relative van der Waals volumes	PaDEL WHIM descriptor	3D	0.283
PaDEL	P1v	1st component shape directional WHIM index / weighted by relative van der Waals volumes	PaDEL WHIM descriptor	3D	0.98
PaDEL	P2v	2nd component shape directional WHIM index / weighted by relative van der Waals volumes	PaDEL WHIM descriptor	3D	0.014
PaDEL	E1v	1st component accessibility directional WHIM index / weighted by relative van der Waals volumes	PaDEL WHIM descriptor	3D	0.516
PaDEL	E2v	2nd component accessibility directional WHIM index / weighted by relative van der Waals volumes	PaDEL WHIM descriptor	3D	0.3
PaDEL	E3v	3rd component accessibility directional WHIM index / weighted by relative van der Waals volumes	PaDEL WHIM descriptor	3D	0.141
PaDEL	Tv	T total size index / weighted by relative van der Waals volumes	PaDEL WHIM descriptor	3D	43.199
PaDEL	Av	A total size index / weighted by relative van der Waals volumes	PaDEL WHIM descriptor	3D	37.356
PaDEL	Vv	V total size index / weighted by relative van der Waals volumes	PaDEL WHIM descriptor	3D	87.691
PaDEL	Kv	K global shape index / weighted by relative van der Waals volumes	PaDEL WHIM descriptor	3D	0.969
PaDEL	Dv	D total accessibility index / weighted by relative van der Waals volumes	PaDEL WHIM descriptor	3D	0.957
PaDEL	L1e	1st component size directional WHIM index / weighted by relative Sanderson electronegativities	PaDEL WHIM descriptor	3D	42.799
PaDEL	L2e	2nd component size directional WHIM index / weighted by relative Sanderson electronegativities	PaDEL WHIM descriptor	3D	0.843
PaDEL	L3e	3rd component size directional WHIM index / weighted by relative Sanderson electronegativities	PaDEL WHIM descriptor	3D	0.491
PaDEL	P1e	1st component shape directional WHIM index / weighted by relative Sanderson electronegativities	PaDEL WHIM descriptor	3D	0.97
PaDEL	P2e	2nd component shape directional WHIM index / weighted by relative Sanderson electronegativities	PaDEL WHIM descriptor	3D	0.019
PaDEL	E1e	1st component accessibility directional WHIM index / weighted by relative Sanderson electronegativities	PaDEL WHIM descriptor	3D	0.527
PaDEL	E2e	2nd component accessibility directional WHIM index / weighted by relative Sanderson electronegativities	PaDEL WHIM descriptor	3D	0.599
PaDEL	E3e	3rd component accessibility directional WHIM index / weighted by relative Sanderson electronegativities	PaDEL WHIM descriptor	3D	0.427
PaDEL	Te	T total size index / weighted by relative Sanderson electronegativities	PaDEL WHIM descriptor	3D	44.134
PaDEL	Ae	A total size index / weighted by relative Sanderson electronegativities	PaDEL WHIM descriptor	3D	57.51
PaDEL	Ve	V total size index / weighted by relative Sanderson electronegativities	PaDEL WHIM descriptor	3D	119.363
PaDEL	Ke	K global shape index / weighted by relative Sanderson electronegativities	PaDEL WHIM descriptor	3D	0.955
PaDEL	De	D total accessibility index / weighted by relative Sanderson electronegativities	PaDEL WHIM descriptor	3D	1.553
PaDEL	L1p	1st component size directional WHIM index / weighted by relative polarizabilities	PaDEL WHIM descriptor	3D	42.676
PaDEL	L2p	2nd component size directional WHIM index / weighted by relative polarizabilities	PaDEL WHIM descriptor	3D	0.631
PaDEL	L3p	3rd component size directional WHIM index / weighted by relative polarizabilities	PaDEL WHIM descriptor	3D	0.361
PaDEL	P1p	1st component shape directional WHIM index / weighted by relative polarizabilities	PaDEL WHIM descriptor	3D	0.977
PaDEL	P2p	2nd component shape directional WHIM index / weighted by relative polarizabilities	PaDEL WHIM descriptor	3D	0.014
PaDEL	E1p	1st component accessibility directional WHIM index / weighted by relative polarizabilities	PaDEL WHIM descriptor	3D	0.524
PaDEL	E2p	2nd component accessibility directional WHIM index / weighted by relative polarizabilities	PaDEL WHIM descriptor	3D	0.336
PaDEL	E3p	3rd component accessibility directional WHIM index / weighted by relative polarizabilities	PaDEL WHIM descriptor	3D	0.231
PaDEL	Tp	T total size index / weighted by relative polarizabilities	PaDEL WHIM descriptor	3D	43.668
PaDEL	Ap	A total size index / weighted by relative polarizabilities	PaDEL WHIM descriptor	3D	42.557
PaDEL	Vp	V total size index / weighted by relative polarizabilities	PaDEL WHIM descriptor	3D	95.943
PaDEL	Kp	K global shape index / weighted by relative polarizabilities	PaDEL WHIM descriptor	3D	0.966
PaDEL	Dp	D total accessibility index / weighted by relative polarizabilities	PaDEL WHIM descriptor	3D	1.091
PaDEL	L1i	1st component size directional WHIM index / weighted by relative first ionization potential	PaDEL WHIM descriptor	3D	43.016
PaDEL	L2i	2nd component size directional WHIM index / weighted by relative first ionization potential	PaDEL WHIM descriptor	3D	0.873
PaDEL	L3i	3rd component size directional WHIM index / weighted by relative first ionization potential	PaDEL WHIM descriptor	3D	0.543
PaDEL	P1i	1st component shape directional WHIM index / weighted by relative first ionization potential	PaDEL WHIM descriptor	3D	0.968
PaDEL	P2i	2nd component shape directional WHIM index / weighted by relative first ionization potential	PaDEL WHIM descriptor	3D	0.02
PaDEL	E1i	1st component accessibility directional WHIM index / weighted by relative first ionization potential	PaDEL WHIM descriptor	3D	0.533
PaDEL	E2i	2nd component accessibility directional WHIM index / weighted by relative first ionization potential	PaDEL WHIM descriptor	3D	0.642
PaDEL	E3i	3rd component accessibility directional WHIM index / weighted by relative first ionization potential	PaDEL WHIM descriptor	3D	0.522
PaDEL	Ti	T total size index / weighted by relative first ionization potential	PaDEL WHIM descriptor	3D	44.432
PaDEL	Ai	A total size index / weighted by relative first ionization potential	PaDEL WHIM descriptor	3D	61.4
PaDEL	Vi	V total size index / weighted by relative first ionization potential	PaDEL WHIM descriptor	3D	126.232
PaDEL	Ki	K global shape index / weighted by relative first ionization potential	PaDEL WHIM descriptor	3D	0.952
PaDEL	Di	D total accessibility index / weighted by relative first ionization potential	PaDEL WHIM descriptor	3D	1.696
PaDEL	L1s	1st component size directional WHIM index / weighted by relative I-state	PaDEL WHIM descriptor	3D	43.087
PaDEL	L2s	2nd component size directional WHIM index / weighted by relative I-state	PaDEL WHIM descriptor	3D	0.855
PaDEL	L3s	3rd component size directional WHIM index / weighted by relative I-state	PaDEL WHIM descriptor	3D	0.496
PaDEL	P1s	1st component shape directional WHIM index / weighted by relative I-state	PaDEL WHIM descriptor	3D	0.97
PaDEL	P2s	2nd component shape directional WHIM index / weighted by relative I-state	PaDEL WHIM descriptor	3D	0.019
PaDEL	E1s	1st component accessibility directional WHIM index / weighted by relative I-state	PaDEL WHIM descriptor	3D	0.534
PaDEL	E2s	2nd component accessibility directional WHIM index / weighted by relative I-state	PaDEL WHIM descriptor	3D	0.617
PaDEL	E3s	3rd component accessibility directional WHIM index / weighted by relative I-state	PaDEL WHIM descriptor	3D	0.437
PaDEL	Ts	T total size index / weighted by relative I-state	PaDEL WHIM descriptor	3D	44.439
PaDEL	As	A total size index / weighted by relative I-state	PaDEL WHIM descriptor	3D	58.671
PaDEL	Vs	V total size index / weighted by relative I-state	PaDEL WHIM descriptor	3D	121.407
PaDEL	Ks	K global shape index / weighted by relative I-state	PaDEL WHIM descriptor	3D	0.954
PaDEL	Ds	D total accessibility index / weighted by relative I-state	PaDEL WHIM descriptor	3D	1.588

DISCLAIMER

sCentInDB is a comprehensive resource providing detailed information on the essential oils and chemical profiles of Indian medicinal plants. The information included has been manually curated from published research articles and books, with rigorous attention to accuracy and completeness. While every effort has been made to ensure the completeness of the data, we disclaim responsibility for any inaccuracies or omissions present in the original publications from where we have compiled the information. Users are encouraged to critically assess the provided information and exercise discretion in its interpretation and application. This resource aims to support basic research in the field of essential oil chemistry. Please note that the content provided does not necessarily reflect the views or objectives of our employers or funders.