ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01481
Compound Name 2alpha-Deacetoxytaxinine J
Chemical ClassTerpenoids
Molecular Weight708.887
logP6.757
H-Bond Donor0.00
H-Bond Acceptor10
Caco-2 Permeability41.341
logSwat-8.845
Number of Primary Metabolites7
Polar Surface Area182.193
Rotatable Bonds12
logKhsa1.600
Number of Reactive Functional Groups5
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-6.209
Blood Brain Barrier (logBB)-3.025
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   -
TaxKB   41
Structure Download

 






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