ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01021
Compound Name2-alpha,3-beta,13-beta-trihydroxyurs-11-en-28-oic acid
Chemical ClassTerpenoids
Molecular Weight474.679
logP4.625
H-Bond Donor4.00
H-Bond Acceptor6
Caco-2 Permeability111.528
logSwat-5.738
Number of Primary Metabolites4
Polar Surface Area89.802
Rotatable Bonds4
logKhsa0.750
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-1.998
Blood Brain Barrier (logBB)-0.936
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00092
TaxKB   -
Structure Download

 






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