ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00790
Compound Name7-acetylgoniopypyrone
Chemical ClassOxygen heterocycles
Molecular Weight292.288
logP0.584
H-Bond Donor1.00
H-Bond Acceptor8
Caco-2 Permeability387.583
logSwat-2.273
Number of Primary Metabolites5
Polar Surface Area104.509
Rotatable Bonds2
logKhsa-0.612
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.222
Blood Brain Barrier (logBB)-0.816
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2532
NPACT   -
TaxKB   -
Structure Download

 






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