ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01425
Compound Name2-alpha, 3-alpha, 19-beta, 23-beta-tetrahydroxyurs-12-en-28-oic acid
Chemical ClassTerpenoids
Molecular Weight504.706
logP3.691
H-Bond Donor5.00
H-Bond Acceptor8
Caco-2 Permeability42.895
logSwat-4.956
Number of Primary Metabolites6
Polar Surface Area113.943
Rotatable Bonds6
logKhsa0.436
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-1.740
Blood Brain Barrier (logBB)-1.419
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT01486
TaxKB   -
Structure Download

 






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