ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01312
Compound NameAlpha-santonin
Chemical ClassTerpenoids
Molecular Weight246.305
logP1.608
H-Bond Donor0.00
H-Bond Acceptor5
Caco-2 Permeability969.764
logSwat-2.564
Number of Primary Metabolites3
Polar Surface Area65.280
Rotatable Bonds0
logKhsa-0.312
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.412
Blood Brain Barrier (logBB)-0.308
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT01125
TaxKB   -
Structure Download

 






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