ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00795
Compound Name9-deoxygoniopypyrone
Chemical ClassOxygen heterocycles
Molecular Weight234.251
logP0.946
H-Bond Donor1.00
H-Bond Acceptor6
Caco-2 Permeability1308.141
logSwat-1.929
Number of Primary Metabolites5
Polar Surface Area66.159
Rotatable Bonds1
logKhsa-0.524
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.669
Blood Brain Barrier (logBB)-0.224
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2548
NPACT   -
TaxKB   -
Structure Download

 






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