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Compound InformationSONAR Target prediction
Name:

HYDROCOTOIN

Unique Identifier:SPE00201081
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C15H14O4
Molecular Weight:244.158 g/mol
X log p:15.451  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:COc1cc(O)c(C(=O)c2ccccc2)c(OC)c1
Source:ex Nectandra coto

Found: 11 active | as graph: single | with analogs << Back 1 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: SPE01503602
Replicates: 2
Raw OD Value: r im 0.1336±0
Normalized OD Score: sc h 0.5202±0
Z-Score: -5.0346±0
p-Value: 0.000000478724
Z-Factor: 0.604996
Fitness Defect: 14.5521
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|B8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2006-08-17 YYYY-MM-DD
Plate CH Control (+):0.03825±0.00095
Plate DMSO Control (-):0.3023±0.01936
Plate Z-Factor:0.7708
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DBLink | Rows returned: 6
77387 phenyl-(2,4,6-trimethoxyphenyl)methanone
254174 (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone
520748 (2,4-dimethoxyphenyl)-phenyl-methanone
688628 (2,4-dimethoxyphenyl)-(4-hydroxyphenyl)methanone
3646534 (2-hydroxy-4,6-dimethoxy-phenyl)-phenyl-methanone
6710752 (4-hydroxyphenyl)-(2,4,6-trimethoxyphenyl)methanone

internal high similarity DBLink | Rows returned: 3
SPE01500255 0.9063
SPE01500451 0.9206
NRB 01079 1.0000

nonactive | Cluster 9714 | Additional Members: 6 | Rows returned: 4
SPE01505153 0.551724137931034
SPE00201610 0.527272727272727
SPE00201727 0.487179487179487
SPE00200441 0

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