ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02043
Compound Name2-deacetoxytaxinine J
Chemical ClassTerpenoids
Molecular Weight650.764
logP4.926
H-Bond Donor0.00
H-Bond Acceptor10
Caco-2 Permeability156.266
logSwat-4.850
Number of Primary Metabolites5
Polar Surface Area171.640
Rotatable Bonds8
logKhsa0.763
Number of Reactive Functional Groups5
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.274
Blood Brain Barrier (logBB)-1.531
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0704
NPACT   -
TaxKB   -
Structure Download

 






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