ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03329
Compound Name6-O-nicotinoyl-7-O-acetylscutebarbatine G
Chemical ClassOxygen heterocycles
Molecular Weight618.682
logP2.388
H-Bond Donor0.00
H-Bond Acceptor13
Caco-2 Permeability68.690
logSwat-3.272
Number of Primary Metabolites8
Polar Surface Area162.564
Rotatable Bonds5
logKhsa-0.304
Number of Reactive Functional Groups4
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.928
Blood Brain Barrier (logBB)-1.748
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol2514
NPACT   -
TaxKB   -
Structure Download

 






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