Compound Information | SONAR Target prediction | Name: | Dioxybenzone | Unique Identifier: | Prest1213 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C14H12O4 | Molecular Weight: | 232.147 g/mol | X log p: | 15.527 (online calculus) | Lipinksi Failures | 1 | TPSA | 26.3 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 4 | Rotatable Bond Count: | 3 | Canonical Smiles: | COc1ccc(c(O)c1)C(=O)c1ccccc1O |
Species: |
9606 |
Condition: |
TMPPre002 |
Replicates: |
2 |
Raw OD Value: r im |
5983.5000±0 |
Normalized OD Score: sc h |
0.8266±0 |
Z-Score: |
-3.9083±0 |
p-Value: |
0.0000929418 |
Z-Factor: |
-4.52679 |
Fitness Defect: |
9.2835 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Prestwick | Plate Number and Position: | 12|B9 | Drug Concentration: | 50.00 nM | OD Absorbance: | 0 nm | Robot Temperature: | 23.30 Celcius | Date: | 2006-10-10 YYYY-MM-DD | Plate CH Control (+): | 758.5±653.58671 | Plate DMSO Control (-): | 822.5±277.54018 | Plate Z-Factor: | -66.6597 |
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DBLink | Rows returned: 3 | |
8569 |
(2-hydroxy-4-methoxy-phenyl)-(2-hydroxyphenyl)methanone |
8570 |
bis(2-hydroxy-4-methoxy-phenyl)methanone |
81876 |
(2,4-dihydroxyphenyl)-(2-hydroxy-4-methoxy-phenyl)methanone |
internal high similarity DBLink | Rows returned: 0 | |
nonactive | Cluster 15651 | Additional Members: 8 | Rows returned: 3 | |
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