ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03314
Compound Name5-(2-Enyl-3-Methylbut)Oxy-7-Hydroxycoumarin
Chemical ClassBenzopyranoids
Molecular Weight260.289
logP2.621
H-Bond Donor1.00
H-Bond Acceptor4
Caco-2 Permeability625.063
logSwat-3.954
Number of Primary Metabolites5
Polar Surface Area69.796
Rotatable Bonds5
logKhsa0.102
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.092
Blood Brain Barrier (logBB)-0.955
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2488
NPACT   -
TaxKB   -
Structure Download

 






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