ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03338
Compound Name7-[(E)-3',7'-dimethyl-6'-oxo-2',7'-octadienyl]oxy coumarin
Chemical ClassBenzopyranoids
Molecular Weight312.365
logP3.471
H-Bond Donor0.00
H-Bond Acceptor5
Caco-2 Permeability1173.243
logSwat-4.479
Number of Primary Metabolites6
Polar Surface Area73.328
Rotatable Bonds7
logKhsa0.084
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.966
Blood Brain Barrier (logBB)-0.878
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2530
NPACT   -
TaxKB   -
Structure Download

 






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