ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02215
Compound Name15-O-Deacetyl-15-O-methylnimbolidin A
Chemical ClassTerpenoids
Molecular Weight692.802
logP5.490
H-Bond Donor0.00
H-Bond Acceptor12
Caco-2 Permeability580.976
logSwat-6.414
Number of Primary Metabolites6
Polar Surface Area140.335
Rotatable Bonds7
logKhsa0.731
Number of Reactive Functional Groups4
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.947
Blood Brain Barrier (logBB)-1.186
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0904
NPACT   -
TaxKB   -
Structure Download

 






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