ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01548
Compound Name 9beta-H-9-Dihydro-19-acetoxy-10-deacetylbaccatinn 3
Chemical ClassTerpenoids
Molecular Weight634.719
logP1.731
H-Bond Donor5.00
H-Bond Acceptor16
Caco-2 Permeability131.840
logSwat-2.989
Number of Primary Metabolites6
Polar Surface Area163.104
Rotatable Bonds13
logKhsa-0.289
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.145
Blood Brain Barrier (logBB)-1.923
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations0
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   -
TaxKB   111
Structure Download

 






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