ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02229
Compound NameBruceoside B
Chemical ClassTerpenoids
Molecular Weight682.674
logP-1.254
H-Bond Donor5.00
H-Bond Acceptor21
Caco-2 Permeability6.587
logSwat-1.872
Number of Primary Metabolites13
Polar Surface Area254.182
Rotatable Bonds12
logKhsa-0.986
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.449
Blood Brain Barrier (logBB)-3.017
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol0921
NPACT   -
TaxKB   -
Structure Download

 






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