ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01476
Compound Name 2alpha, 5alpha, 9alpha, 10beta, 14beta-Pentacetoxytaxa-4(20), 11-diene
Chemical ClassTerpenoids
Molecular Weight632.790
logP5.482
H-Bond Donor0.00
H-Bond Acceptor10
Caco-2 Permeability21.698
logSwat-8.534
Number of Primary Metabolites5
Polar Surface Area187.741
Rotatable Bonds10
logKhsa1.292
Number of Reactive Functional Groups5
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.573
Blood Brain Barrier (logBB)-3.314
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations2
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   -
TaxKB   34
Structure Download

 






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