ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01475
Compound Name 2alpha, 5alpha, 9alpha, 10beta, 14beta-(2'-methyl)-propanoyloxy-4(20), 11-taxadiene
Chemical ClassTerpenoids
Molecular Weight532.716
logP5.558
H-Bond Donor1.00
H-Bond Acceptor8
Caco-2 Permeability289.407
logSwat-7.119
Number of Primary Metabolites6
Polar Surface Area127.114
Rotatable Bonds8
logKhsa1.331
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.422
Blood Brain Barrier (logBB)-1.498
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   -
TaxKB   33
Structure Download

 






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