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Compound InformationSONAR Target prediction
Name:

MARMESIN

Unique Identifier:SPE01504162
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C14H14O4
Molecular Weight:232.147 g/mol
X log p:7.932  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:1
Canonical Smiles:CC(C)(O)C1Cc2cc3C=CC(=O)Oc3cc2O1
Source:ex Aegle marmelos, Amni majus

Found: 101 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [101]
Species: 4932
Condition: CHS5
Replicates: 2
Raw OD Value: r im 0.7602±0.0079196
Normalized OD Score: sc h 1.0095±0.0040116
Z-Score: 0.4649±0.206997
p-Value: 0.645522
Z-Factor: -4.45106
Fitness Defect: 0.4377
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|C2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2006-03-28 YYYY-MM-DD
Plate CH Control (+):0.039525000000000005±0.00109
Plate DMSO Control (-):0.740075±0.01290
Plate Z-Factor:0.9421
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DBLink | Rows returned: 3
26305
334704
604512

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 302 | Additional Members: 10 | Rows returned: 71 2 Next >> 
LAT014H11 0.542372881355932
LAT001E05 0.533333333333333
SPE00100543 0.533333333333333
SPE01504164 0.485714285714286
SPE00100540 0.456140350877193
SPE01504163 0.435483870967742

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