ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01517
Compound Name 7,9-Deacetylbaccatin IV
Chemical ClassTerpenoids
Molecular Weight568.617
logP1.651
H-Bond Donor2.00
H-Bond Acceptor13
Caco-2 Permeability86.145
logSwat-3.046
Number of Primary Metabolites6
Polar Surface Area189.953
Rotatable Bonds7
logKhsa-0.088
Number of Reactive Functional Groups4
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-2.823
Blood Brain Barrier (logBB)-1.569
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations0
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   -
TaxKB   78
Structure Download

 






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