| Compound Information | SONAR Target prediction |
| Name: | Roxithromycin |
| Unique Identifier: | Prest1046 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C41H76N2O15 |
| Molecular Weight: | 761.451 g/mol |
| X log p: | -1.85 (online calculus) |
| Lipinksi Failures | 2 |
| TPSA | 115.74 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 15 |
| Rotatable Bond Count: | 13 |
| Canonical Smiles: | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C) (O)CC(C)C(=NOCOCCOC)C(C)C(O)C1(C)O |
| Found: 3 nonactive as graph: single | with analogs | 1 2 3 Next >> |
| Species: | 9606 |
| Condition: | TMPPre001 |
| Replicates: | 2 |
| Raw OD Value: r im | 1026.0000±0 |
| Normalized OD Score: sc h | 0.9478±0 |
| Z-Score: | -1.1765±0 |
| p-Value: | 0.239386 |
| Z-Factor: | -8.67481 |
| Fitness Defect: | 1.4297 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 10 | 1 2 Next >> |
| 5106 | 6-(4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4 ,6-dimethyl-oxan-2-yl)oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan -2-one |
| 54548 | (3R,4S,5S,6R,7R,9R,11S,12R,13R,14R)-6-(4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-14-ethyl-7,12,13 -trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl)oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,1 1,13-hexamethyl-1-oxacyclotetradecan-2-one |
| 444037 | (3R,4S,5S,6R,7R,9R,11S,12R,13R,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14 -ethyl-7,12,13-trihydroxy-4-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-10-(2-methoxye thoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one |
| 5362068 | (3R,4S,5S,6R,7R,9R,10E,11S,12R,13R,14R)-6-(4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-14-ethyl-7,1 2,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl)oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7 ,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one |
| 5480431 | (3R,4S,5S,6R,7R,9R,10E,11S,12R,13R,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]ox y-14-ethyl-7,12,13-trihydroxy-4-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-10-(2-meth oxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one |
| 5480438 | (3R,4S,5S,6R,7R,9R,10E,12R,13R,14R)-6-(4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-14-ethyl-7,12,13 -trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl)oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,1 1,13-hexamethyl-1-oxacyclotetradecan-2-one |
| internal high similarity DBLink | Rows returned: 0 |
| nonactive | Cluster 14145 | Additional Members: 11 | Rows returned: 10 | 1 2 Next >> |
| SPE01504144 | 0.320754716981132 |
| Prest923 | 0.320754716981132 |
| SPE01503276 | 0.264705882352941 |
| SPE01500279 | 0.221052631578947 |
| SPE01503679 | 0.206521739130435 |
| SPE01501176 | 0.195652173913043 |
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