ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00492
Compound Name1'-Acetoxychavicol acetate
Chemical ClassOrganic Chemicals
Molecular Weight234.251
logP1.750
H-Bond Donor0.00
H-Bond Acceptor5
Caco-2 Permeability439.257
logSwat-2.723
Number of Primary Metabolites1
Polar Surface Area80.358
Rotatable Bonds4
logKhsa-0.330
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.632
Blood Brain Barrier (logBB)-0.980
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1694
NPACT   -
TaxKB   -
Structure Download

 






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