ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01586
Compound Name 13-epi-10-Deacetylbaccatin III
Chemical ClassTerpenoids
Molecular Weight544.641
logP2.361
H-Bond Donor4.00
H-Bond Acceptor13
Caco-2 Permeability249.390
logSwat-3.990
Number of Primary Metabolites6
Polar Surface Area143.311
Rotatable Bonds9
logKhsa-0.021
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.731
Blood Brain Barrier (logBB)-1.505
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations0
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   -
TaxKB   151
Structure Download

 






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