ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03220
Compound Name23-Hydroxybetulinic acid
Chemical ClassTerpenoids
Molecular Weight472.707
logP5.188
H-Bond Donor3.00
H-Bond Acceptor5
Caco-2 Permeability145.252
logSwat-5.636
Number of Primary Metabolites4
Polar Surface Area80.207
Rotatable Bonds5
logKhsa0.928
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-1.526
Blood Brain Barrier (logBB)-0.829
CNS Permeability-1
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2347
NPACT   -
TaxKB   -
Structure Download

 






Copyright © 2018. Subhash M. Agarwal. All Rights Reserved.