ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03166
Compound Name1-hydroxy-2-deacetoxy-5-decinnamoyl-taxinine j
Chemical ClassTerpenoids
Molecular Weight536.618
logP3.359
H-Bond Donor2.00
H-Bond Acceptor10
Caco-2 Permeability270.716
logSwat-4.832
Number of Primary Metabolites6
Polar Surface Area171.464
Rotatable Bonds6
logKhsa0.513
Number of Reactive Functional Groups4
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.600
Blood Brain Barrier (logBB)-1.223
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2247
NPACT   -
TaxKB   -
Structure Download

 






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