ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02045
Compound Name10-deacetyl-13-oxobaccatin ?
Chemical ClassTerpenoids
Molecular Weight542.582
logP1.456
H-Bond Donor2.00
H-Bond Acceptor13
Caco-2 Permeability176.724
logSwat-2.734
Number of Primary Metabolites5
Polar Surface Area161.462
Rotatable Bonds6
logKhsa-0.279
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.514
Blood Brain Barrier (logBB)-1.246
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations0
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol0706
NPACT   -
TaxKB   -
Structure Download

 






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