(3S,4S)-4-anilino-1,1-dioxothiolan-3-ol
Formula:C10H13NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3S,4S)-4-anilino-1,1-dioxothiolan-3-ol is a drug-like molecule.
| MolName | (3S,4S)-4-anilino-1,1-dioxothiolan-3-ol |
| MolecularFormula | C10H13NO3S |
| Smiles | O[C@H](CS(C1)(=O)=O)[C@@H]1Nc1ccccc1 |
| InChI | InChI=1S/C10H13NO3S/c12-10-7-15(13,14)6-9(10)11-8-4-2-1-3-5-8/h1-5,9-12H,6-7H2/t9-,10-/m0/s1 |
| InChIK | LNXAOEGYXCYWDV-UWVGGRQHSA-N |
| TotalMolweight | 227.283 |
| Molweight | 227.283 |
| MonoisotopicMass | 227.061614 |
| CLogP | -0.1818 |
| CLogS | -1.821 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 158.67 |
| Relative PSA | 0.33491 |
| PolarSurfaceArea | 74.78 |
| Druglikeness | -3.5013 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon | this enantiomer |
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