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Compound InformationSONAR Target prediction
Name:

Novel

Unique Identifier:LAT017D05
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C15H14O3
Molecular Weight:228.159 g/mol
X log p:15.025  (online calculus)
Lipinksi Failures1
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:3
Canonical Smiles:Cc1ccccc1CC(=O)c1ccc(O)cc1O

Found: 5 nonactive as graph: single | with analogs 2 3 4 5 Next >> 
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.6159±0.0092631
Normalized OD Score: sc h 1.0015±0.0541584
Z-Score: 0.1241±1.52186
p-Value: 0.28557
Z-Factor: -85.3538
Fitness Defect: 1.2533
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:17|D5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.039775000000000005±0.00212
Plate DMSO Control (-):0.632725±0.01230
Plate Z-Factor:0.9400
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DBLink | Rows returned: 1
805676 1-(2,4-dihydroxyphenyl)-2-(2-methylphenyl)ethanone

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 16963 | Additional Members: 14 | Rows returned: 92 Next >> 
LAT017G05 0.517241379310345
LAT015C09 0.490566037735849
SPE00100616 0.462962962962963
LAT016D06 0.444444444444444
LAT016C09 0.363636363636364
LAT016E11 0.306122448979592

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