ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01552
Compound Name 9-Dihydro-13-acetylbaccatin 3
Chemical ClassTerpenoids
Molecular Weight620.736
logP2.489
H-Bond Donor4.00
H-Bond Acceptor15
Caco-2 Permeability136.438
logSwat-3.797
Number of Primary Metabolites7
Polar Surface Area159.182
Rotatable Bonds14
logKhsa-0.141
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.881
Blood Brain Barrier (logBB)-2.135
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   -
TaxKB   116
Structure Download

 






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