ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04654
Compound NameSimalikalactone D
Chemical ClassTerpenoids
Molecular Weight478.538
logP1.094
H-Bond Donor3.00
H-Bond Acceptor13
Caco-2 Permeability159.137
logSwat-3.559
Number of Primary Metabolites8
Polar Surface Area153.908
Rotatable Bonds6
logKhsa-0.309
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.940
Blood Brain Barrier (logBB)-1.505
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00947
TaxKB   -
Structure Download

 






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