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Compound InformationSONAR Target prediction
Name:

4-ACETOXYPHENOL

Unique Identifier:SPE00240740
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:144.084 g/mol
X log p:8.326  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:2
Canonical Smiles:CC(=O)Oc1ccc(O)cc1
Class:aromatic
Source:Ferulago aucheri, Salvia yosgadensis
Therapeutics:antioxidant

Found: 594 nonactive | as graph: single | with analogs [1] << Back 531 532 533 534 535 536 537 538 539 540  Next >> [594]
Species: 4932
Condition: HXK2
Replicates: 2
Raw OD Value: r im 0.7446±0.00254558
Normalized OD Score: sc h 0.9726±0.00410365
Z-Score: -1.2226±0.158594
p-Value: 0.224394
Z-Factor: -15.5293
Fitness Defect: 1.4944
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:11|G8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.40 Celcius
Date:2008-03-05 YYYY-MM-DD
Plate CH Control (+):0.041575±0.00264
Plate DMSO Control (-):0.7273499999999999±0.12834
Plate Z-Factor:0.4143
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DBLink | Rows returned: 3
70987 (4-methoxyphenyl) acetate
71006 (4-acetyloxyphenyl) acetate
96009 (4-hydroxyphenyl) acetate

internal high similarity DBLink | Rows returned: 1
RJC 02997 0.9429

active | Cluster 14842 | Additional Members: 6 | Rows returned: 1
SPE01504041 0.560975609756098

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