ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01612
Compound Name Taxa-4-(20), 11-diene-5alpha, 7beta, 9alpha, 10beta, 13alpha-pentaol pentaacetate
Chemical ClassTerpenoids
Molecular Weight634.806
logP4.345
H-Bond Donor0.00
H-Bond Acceptor13
Caco-2 Permeability297.553
logSwat-6.298
Number of Primary Metabolites5
Polar Surface Area138.100
Rotatable Bonds6
logKhsa0.444
Number of Reactive Functional Groups6
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.021
Blood Brain Barrier (logBB)-1.511
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   -
TaxKB   179
Structure Download

 






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