ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00423
Compound NameAnticancer Cardiac Glycoside PMV70P691-008
Chemical ClassCarbohydrates
Molecular Weight548.672
logP2.458
H-Bond Donor2.00
H-Bond Acceptor13
Caco-2 Permeability301.561
logSwat-4.974
Number of Primary Metabolites5
Polar Surface Area131.600
Rotatable Bonds6
logKhsa0.026
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.614
Blood Brain Barrier (logBB)-1.390
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1360
NPACT   -
TaxKB   -
Structure Download

 






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