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Compound InformationSONAR Target prediction
Name:

Novel

Unique Identifier:LAT016C09
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C16H16O5
Molecular Weight:272.168 g/mol
X log p:13.507  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:5
Canonical Smiles:COc1ccc(CC(=O)c2ccc(O)cc2O)cc1OC

Found: 5 nonactive as graph: single | with analogs 2 3 4 5 Next >> 
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.6451±0.0231224
Normalized OD Score: sc h 1.0120±0.0102309
Z-Score: 0.4915±0.321473
p-Value: 0.631938
Z-Factor: -8.84854
Fitness Defect: 0.459
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:16|C9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.040999999999999995±0.00201
Plate DMSO Control (-):0.626275±0.00959
Plate Z-Factor:0.9432
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DBLink | Rows returned: 2
689038 1-(2,4-dihydroxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone
804849 2-(3,4-dimethoxyphenyl)-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
LAT016E11 0.306122448979592

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