ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02028
Compound Name3-O-(2'E,4'Z-decadienoyl)-5-O-acetylin-genol
Chemical ClassTerpenoids
Molecular Weight540.695
logP5.652
H-Bond Donor2.00
H-Bond Acceptor8
Caco-2 Permeability734.764
logSwat-7.038
Number of Primary Metabolites7
Polar Surface Area114.679
Rotatable Bonds12
logKhsa1.069
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.135
Blood Brain Barrier (logBB)-1.428
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol0689
NPACT   -
TaxKB   -
Structure Download

 






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