ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02135
Compound Name(24Z)-3-Oxo-12alpha-acetoxylanosta-8,24-dien-26-oic acid
Chemical ClassTerpenoids
Molecular Weight512.728
logP6.411
H-Bond Donor1.00
H-Bond Acceptor6
Caco-2 Permeability95.331
logSwat-7.665
Number of Primary Metabolites5
Polar Surface Area103.252
Rotatable Bonds6
logKhsa1.416
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-2.551
Blood Brain Barrier (logBB)-1.255
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0819
NPACT   -
TaxKB   -
Structure Download

 






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