ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04997
Compound Name3-o-(trans-p-coumaroyl)-maslinic acid
Chemical ClassTerpenoids
Molecular Weight638.926
logP7.169
H-Bond Donor4.00
H-Bond Acceptor7
Caco-2 Permeability3.730
logSwat-9.121
Number of Primary Metabolites5
Polar Surface Area130.458
Rotatable Bonds7
logKhsa1.541
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids2
loghERG-1.458
Blood Brain Barrier (logBB)-2.378
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations2
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT01450
TaxKB   -
Structure Download

 






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