ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03337
Compound Name7-O-nicotinoylscutebarbatine H
Chemical ClassTerpenoids
Molecular Weight574.629
logP3.121
H-Bond Donor1.00
H-Bond Acceptor12
Caco-2 Permeability140.813
logSwat-4.916
Number of Primary Metabolites9
Polar Surface Area147.281
Rotatable Bonds5
logKhsa0.294
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.203
Blood Brain Barrier (logBB)-1.535
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol2529
NPACT   -
TaxKB   -
Structure Download

 






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