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Compound InformationSONAR Target prediction
Name:

Novel

Unique Identifier:LAT017F11
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C16H16O4
Molecular Weight:256.169 g/mol
X log p:15.172  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:5
Canonical Smiles:CCOc1ccc(CC(=O)c2ccc(O)cc2O)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 0.6885±0.00226274
Normalized OD Score: sc h 1.0345±0.00824942
Z-Score: 1.4373±0.306754
p-Value: 0.160199
Z-Factor: -1.32044
Fitness Defect: 1.8313
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:17|F11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.04045±0.00155
Plate DMSO Control (-):0.6599999999999999±0.01098
Plate Z-Factor:0.9376
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DBLink | Rows returned: 1
895501 1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenyl)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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