ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01146
Compound NameErgolide
Chemical ClassTerpenoids
Molecular Weight306.358
logP1.232
H-Bond Donor0.00
H-Bond Acceptor7
Caco-2 Permeability723.986
logSwat-1.763
Number of Primary Metabolites2
Polar Surface Area93.462
Rotatable Bonds2
logKhsa-0.606
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-2.903
Blood Brain Barrier (logBB)-0.494
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00552
TaxKB   -
Structure Download

 






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