IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
2,5-Dihydrofuran
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016323
Phytochemical name:
2,5-Dihydrofuran
Synonymous chemical names:
2,5-dihydrofuran
External chemical identifiers:
CID:15570
,
ChEMBL:CHEMBL117135
,
ZINC:ZINC000001690282
,
FDASRS:HD0TIE091T
,
SureChEMBL:SCHEMBL59324
,
MolPort-001-768-951
Chemical structure information
SMILES:
O1CC=CC1
InChI:
InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2
InChIKey:
ARGCQEVBJHPOGB-UHFFFAOYSA-N
DeepSMILES:
OCC=CC5
Functional groups:
CC=CC, COC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1=CCOC1
Scaffold Graph/Node level:
C1CCOC1
Scaffold Graph level:
C1CCCC1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organoheterocyclic compounds
ClassyFire Class:
Dihydrofurans
NP-Likeness score:
0.923
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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