ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01545
Compound Name 9alpha, 10beta, 13alpha-Triacetoxy-5alpha-cinnamoyl taxa-4(20), 11-diene
Chemical ClassTerpenoids
Molecular Weight634.808
logP6.723
H-Bond Donor0.00
H-Bond Acceptor8
Caco-2 Permeability186.389
logSwat-7.818
Number of Primary Metabolites5
Polar Surface Area139.196
Rotatable Bonds10
logKhsa1.574
Number of Reactive Functional Groups4
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.361
Blood Brain Barrier (logBB)-1.899
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   -
TaxKB   108
Structure Download

 






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