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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 2 3 4 5 Next >> 
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.6296±0.0570635
Normalized OD Score: sc h 1.0216±0.0527971
Z-Score: 0.8084±1.54563
p-Value: 0.416634
Z-Factor: -8.52451
Fitness Defect: 0.8755
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:17|F11
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
895501 1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenyl)ethanone

internal high similarity DBLink | Rows returned: 0

active | Cluster 16963 | Additional Members: 14 | Rows returned: 6
LAT015C09 0.490566037735849
SPE00100616 0.462962962962963
LAT016D06 0.444444444444444
LAT017D07 0.32
LAT017H02 0.24
SPE00212097 0

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