ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00002
Compound Name2-alpha, 5-alpha, 9-alpha-Trihydroxy-10-beta-diacetoxy-taxa-4(20), 11-diene
Chemical ClassTerpenoids
Molecular Weight464.598
logP3.108
H-Bond Donor3.00
H-Bond Acceptor9
Caco-2 Permeability135.121
logSwat-5.684
Number of Primary Metabolites7
Polar Surface Area125.706
Rotatable Bonds7
logKhsa0.482
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.634
Blood Brain Barrier (logBB)-1.834
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   -
TaxKB   35
Structure Download

 






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