ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01017
Compound Name21-O-methyltoosendanpentol
Chemical ClassTerpenoids
Molecular Weight520.748
logP4.148
H-Bond Donor4.00
H-Bond Acceptor9
Caco-2 Permeability598.643
logSwat-6.025
Number of Primary Metabolites5
Polar Surface Area91.957
Rotatable Bonds7
logKhsa0.741
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.384
Blood Brain Barrier (logBB)-1.104
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00072
TaxKB   -
Structure Download

 






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