ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01234
Compound NameProtocatechuic acid
Chemical ClassFlavonoids
Molecular Weight154.122
logP0.019
H-Bond Donor3.00
H-Bond Acceptor4
Caco-2 Permeability26.221
logSwat-0.807
Number of Primary Metabolites2
Polar Surface Area94.684
Rotatable Bonds3
logKhsa-0.899
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-1.515
Blood Brain Barrier (logBB)-1.243
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00881
TaxKB   -
Structure Download

 






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