ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02336
Compound NameUncarinic acid B
Chemical ClassTerpenoids
Molecular Weight648.878
logP7.293
H-Bond Donor3.00
H-Bond Acceptor7
Caco-2 Permeability80.014
logSwat-7.836
Number of Primary Metabolites5
Polar Surface Area123.042
Rotatable Bonds9
logKhsa1.635
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-3.030
Blood Brain Barrier (logBB)-1.485
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1044
NPACT   -
TaxKB   -
Structure Download

 






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