ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03324
Compound Name6,7-di-O-nicotinoylscutebarbatine G
Chemical ClassTerpenoids
Molecular Weight681.741
logP2.648
H-Bond Donor0.00
H-Bond Acceptor14
Caco-2 Permeability70.130
logSwat-3.137
Number of Primary Metabolites10
Polar Surface Area173.180
Rotatable Bonds6
logKhsa-0.354
Number of Reactive Functional Groups4
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.340
Blood Brain Barrier (logBB)-1.803
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol2507
NPACT   -
TaxKB   -
Structure Download

 






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