ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04774
Compound NameAlpha-Toxicarol
Chemical ClassFlavonoids
Molecular Weight410.423
logP4.198
H-Bond Donor0.00
H-Bond Acceptor6
Caco-2 Permeability2091.286
logSwat-5.631
Number of Primary Metabolites4
Polar Surface Area82.451
Rotatable Bonds3
logKhsa0.526
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.306
Blood Brain Barrier (logBB)-0.324
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT01126
TaxKB   -
Structure Download

 






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