ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00998
Compound Name(3S)-3',7-dihydroxy-2',4',5',8-tetramethoxyisoflavan
Chemical ClassFlavonoids
Molecular Weight362.379
logP3.391
H-Bond Donor2.00
H-Bond Acceptor5
Caco-2 Permeability1679.166
logSwat-4.320
Number of Primary Metabolites8
Polar Surface Area80.772
Rotatable Bonds6
logKhsa0.296
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.487
Blood Brain Barrier (logBB)-0.543
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00018
TaxKB   -
Structure Download

 






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