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Compound InformationSONAR Target prediction
Name:

Novel

Unique Identifier:LAT016E11
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C14FH11O3
Molecular Weight:235.146 g/mol
X log p:15.016  (online calculus)
Lipinksi Failures1
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:3
Canonical Smiles:Oc1ccc(c(O)c1)C(=O)Cc1ccc(F)cc1

Found: 5 nonactive as graph: single | with analogs << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: pdr22h
Replicates: 2
Raw OD Value: r im 0.6945±0.0151321
Normalized OD Score: sc h 1.0410±0.0154006
Z-Score: 1.7494±0.656442
p-Value: 0.112776
Z-Factor: -1.92908
Fitness Defect: 2.1824
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:16|E11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.00 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.04215±0.00278
Plate DMSO Control (-):0.660725±0.01709
Plate Z-Factor:0.9200
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DBLink | Rows returned: 2
2063467 1-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone
5189895 2-(4-fluorophenyl)-1-(2,4,6-trihydroxyphenyl)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
LAT017D05 0.454545454545455
LAT016D06 0.444444444444444
LAT016C09 0.363636363636364

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