ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01048
Compound Name5-hydroxy-3-amino-2-aceto-1,4-naphthoquinone
Chemical ClassPolycyclic aromatic natural products
Molecular Weight231.207
logP-0.054
H-Bond Donor1.00
H-Bond Acceptor6
Caco-2 Permeability102.877
logSwat-2.457
Number of Primary Metabolites2
Polar Surface Area120.022
Rotatable Bonds3
logKhsa-0.591
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.862
Blood Brain Barrier (logBB)-1.348
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00175
TaxKB   -
Structure Download

 






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