ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID05004
Compound Name3beta-Hydroxy-27-p-(Z)-coumaroyloxyurs-12-en-28-oic acid
Chemical ClassTerpenoids
Molecular Weight632.879
logP7.686
H-Bond Donor3.00
H-Bond Acceptor6
Caco-2 Permeability29.050
logSwat-10.017
Number of Primary Metabolites4
Polar Surface Area118.126
Rotatable Bonds9
logKhsa1.898
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-4.484
Blood Brain Barrier (logBB)-2.336
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT01459
TaxKB   -
Structure Download

 






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