ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00756
Compound Name3-oxo-12alpha-hydroxy-olean-28,13beta-olide
Chemical ClassTerpenoids
Molecular Weight470.691
logP4.638
H-Bond Donor1.00
H-Bond Acceptor7
Caco-2 Permeability1118.631
logSwat-6.231
Number of Primary Metabolites2
Polar Surface Area71.833
Rotatable Bonds1
logKhsa1.098
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.532
Blood Brain Barrier (logBB)-0.364
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2426
NPACT   -
TaxKB   -
Structure Download

 






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