ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00999
Compound Name(3S)-7-hydroxy-2',3',4',5',8-pentamethoxyisoflavan
Chemical ClassFlavonoids
Molecular Weight376.405
logP4.077
H-Bond Donor1.00
H-Bond Acceptor5
Caco-2 Permeability3643.670
logSwat-4.652
Number of Primary Metabolites8
Polar Surface Area66.807
Rotatable Bonds6
logKhsa0.454
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.448
Blood Brain Barrier (logBB)-0.217
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00019
TaxKB   -
Structure Download

 






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