ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01553
Compound Name 9-Hydroxy-10-deacetylbaccatin III
Chemical ClassTerpenoids
Molecular Weight560.640
logP2.034
H-Bond Donor4.00
H-Bond Acceptor13
Caco-2 Permeability142.249
logSwat-3.556
Number of Primary Metabolites7
Polar Surface Area161.190
Rotatable Bonds11
logKhsa-0.168
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.704
Blood Brain Barrier (logBB)-1.853
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   -
TaxKB   117
Structure Download

 






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