ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01462
Compound Name 1beta-Hydroxy-7-deacetylbaccatin I
Chemical ClassTerpenoids
Molecular Weight680.788
logP3.542
H-Bond Donor2.00
H-Bond Acceptor14
Caco-2 Permeability39.210
logSwat-6.054
Number of Primary Metabolites5
Polar Surface Area217.156
Rotatable Bonds12
logKhsa0.450
Number of Reactive Functional Groups6
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.888
Blood Brain Barrier (logBB)-2.848
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   -
TaxKB   20
Structure Download

 






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