ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01468
Compound Name 1-Hydroxy-2, 7, 9-trideacetylbaccatin I
Chemical ClassTerpenoids
Molecular Weight568.660
logP1.922
H-Bond Donor4.00
H-Bond Acceptor14
Caco-2 Permeability47.419
logSwat-5.076
Number of Primary Metabolites7
Polar Surface Area185.073
Rotatable Bonds10
logKhsa-0.022
Number of Reactive Functional Groups4
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.796
Blood Brain Barrier (logBB)-2.599
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   -
TaxKB   26
Structure Download

 






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