ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01482
Compound Name 2-Deacetoxy-13-deacetyldecinnamoyl-taxinine J
Chemical ClassTerpenoids
Molecular Weight522.678
logP2.637
H-Bond Donor2.00
H-Bond Acceptor12
Caco-2 Permeability395.621
logSwat-4.614
Number of Primary Metabolites5
Polar Surface Area105.175
Rotatable Bonds4
logKhsa0.213
Number of Reactive Functional Groups4
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.772
Blood Brain Barrier (logBB)-0.983
CNS Permeability-1
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   -
TaxKB   42
Structure Download

 






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