ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03569
Compound NameMelodinine J
Chemical ClassAlkaloids
Molecular Weight644.939
logP4.104
H-Bond Donor1.00
H-Bond Acceptor10
Caco-2 Permeability22.235
logSwat-2.999
Number of Primary Metabolites3
Polar Surface Area79.245
Rotatable Bonds4
logKhsa1.510
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines4
Number of Acids0
loghERG-7.286
Blood Brain Barrier (logBB)0.256
CNS Permeability1
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2926
NPACT   -
TaxKB   -
Structure Download

 






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