ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01754
Compound Nameanticancer alkaloid PMV70P691-050
Chemical ClassAlkaloids
Molecular Weight248.284
logP3.739
H-Bond Donor1.00
H-Bond Acceptor2
Caco-2 Permeability5177.125
logSwat-4.032
Number of Primary Metabolites1
Polar Surface Area33.801
Rotatable Bonds1
logKhsa0.405
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.112
Blood Brain Barrier (logBB)0.250
CNS Permeability1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0108
NPACT   -
TaxKB   -
Structure Download

 






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