ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01550
Compound Name 9-Deacetyltaxine I
Chemical ClassTerpenoids
Molecular Weight667.838
logP4.628
H-Bond Donor2.00
H-Bond Acceptor12
Caco-2 Permeability73.059
logSwat-4.600
Number of Primary Metabolites10
Polar Surface Area159.313
Rotatable Bonds12
logKhsa0.848
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines1
Number of Acids0
loghERG-5.747
Blood Brain Barrier (logBB)-1.290
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   -
TaxKB   114
Structure Download

 






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