ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03212
Compound Name2-methoxy-6-undecyl-1,4-benzoquinone
Chemical ClassPolycyclic aromatic natural products
Molecular Weight292.417
logP3.868
H-Bond Donor0.00
H-Bond Acceptor5
Caco-2 Permeability1240.834
logSwat-4.607
Number of Primary Metabolites2
Polar Surface Area64.677
Rotatable Bonds11
logKhsa0.203
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.216
Blood Brain Barrier (logBB)-1.112
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol2329
NPACT   -
TaxKB   -
Structure Download

 






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