ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04090
Compound Name5,7-dimethyl-3',4'-methylene(-)-epicatechin
Chemical ClassFlavonoids
Molecular Weight330.337
logP3.097
H-Bond Donor1.00
H-Bond Acceptor5
Caco-2 Permeability4487.769
logSwat-3.810
Number of Primary Metabolites5
Polar Surface Area61.451
Rotatable Bonds3
logKhsa0.106
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.506
Blood Brain Barrier (logBB)0.064
CNS Permeability1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00171
TaxKB   -
Structure Download

 






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