ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02154
Compound NameAnticancer Triterpene PMV70P691-044
Chemical ClassTerpenoids
Molecular Weight456.707
logP7.053
H-Bond Donor1.00
H-Bond Acceptor4
Caco-2 Permeability1075.617
logSwat-8.615
Number of Primary Metabolites6
Polar Surface Area59.446
Rotatable Bonds9
logKhsa1.849
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.100
Blood Brain Barrier (logBB)-1.066
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0838
NPACT   -
TaxKB   -
Structure Download

 






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