| 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: |
TMPPre003 |
| Replicates: |
2 |
| Raw OD Value: r im |
11181.0000±0 |
| Normalized OD Score: sc h |
0.9346±0 |
| Z-Score: |
-1.8199±0 |
| p-Value: |
0.0687802 |
| Z-Factor: |
-3.95584 |
| Fitness Defect: |
2.6768 |
| 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 (+): | 22056±7270.79638 | | Plate DMSO Control (-): | 12341.5±7132.64330 | | Plate Z-Factor: | -6.0351 |
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ps
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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 | |
| active | Cluster 15651 | Additional Members: 8 | Rows returned: 3 | |
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