ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00416
Compound Name(2S)-7,8,3',4',5'-Pentamethoxyflavan
Chemical ClassFlavonoids
Molecular Weight360.406
logP3.577
H-Bond Donor0.00
H-Bond Acceptor5
Caco-2 Permeability9906.038
logSwat-5.797
Number of Primary Metabolites7
Polar Surface Area44.966
Rotatable Bonds5
logKhsa0.506
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.577
Blood Brain Barrier (logBB)-0.849
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1287
NPACT   -
TaxKB   -
Structure Download

 






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