ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03706
Compound Namearistoloterpenate-II
Chemical ClassTerpenoids
Molecular Weight527.573
logP5.540
H-Bond Donor0.00
H-Bond Acceptor7
Caco-2 Permeability1066.330
logSwat-6.600
Number of Primary Metabolites9
Polar Surface Area115.045
Rotatable Bonds4
logKhsa1.073
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.501
Blood Brain Barrier (logBB)-0.659
CNS Permeability0
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations2
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol3178
NPACT   -
TaxKB   -
Structure Download

 






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