ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03359
Compound NameAculeatin B
Chemical ClassOrganic Chemicals
Molecular Weight418.615
logP6.173
H-Bond Donor1.00
H-Bond Acceptor5
Caco-2 Permeability1065.635
logSwat-7.682
Number of Primary Metabolites1
Polar Surface Area63.797
Rotatable Bonds13
logKhsa1.221
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.882
Blood Brain Barrier (logBB)-1.402
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol2562
NPACT   -
TaxKB   -
Structure Download

 






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