ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00991
Compound Namewithametelin L
Chemical ClassOrganic Chemicals
Molecular Weight452.589
logP4.037
H-Bond Donor1.00
H-Bond Acceptor7
Caco-2 Permeability984.507
logSwat-5.761
Number of Primary Metabolites4
Polar Surface Area84.748
Rotatable Bonds2
logKhsa0.723
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.573
Blood Brain Barrier (logBB)-0.528
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol3628
NPACT   -
TaxKB   -
Structure Download

 






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