ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02818
Compound NameSquamone
Chemical ClassOxygen heterocycles
Molecular Weight594.871
logP6.444
H-Bond Donor2.00
H-Bond Acceptor12
Caco-2 Permeability86.873
logSwat-9.406
Number of Primary Metabolites7
Polar Surface Area141.750
Rotatable Bonds28
logKhsa0.887
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-6.954
Blood Brain Barrier (logBB)-4.395
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol1647
NPACT   -
TaxKB   -
Structure Download

 






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