ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02027
Compound Name3-O-(2'E,4'E-decadienoyl)-20-O-acetyl-ingenol
Chemical ClassTerpenoids
Molecular Weight540.695
logP5.679
H-Bond Donor2.00
H-Bond Acceptor8
Caco-2 Permeability337.322
logSwat-7.936
Number of Primary Metabolites7
Polar Surface Area127.158
Rotatable Bonds12
logKhsa1.167
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.684
Blood Brain Barrier (logBB)-1.944
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol0688
NPACT   -
TaxKB   -
Structure Download

 






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