(3S)-3-(benzenesulfonyl)-1-(4-methylphenyl)-3-phenylpropan-1-one
Formula:C22H20O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3S)-3-(benzenesulfonyl)-1-(4-methylphenyl)-3-phenylpropan-1-one is a drug-like molecule.
| MolName | (3S)-3-(benzenesulfonyl)-1-(4-methylphenyl)-3-phenylpropan-1-one |
| MolecularFormula | C22H20O3S |
| Smiles | Cc(cc1)ccc1C(C[C@@H](c1ccccc1)S(c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C22H20O3S/c1-17-12-14-18(15-13-17)21(23)16-22(19-8-4-2-5-9-19)26(24,25)20-10-6-3-7-11-20/h2-15,22H,16H2,1H3/t22-/m0/s1 |
| InChIK | LRDYNRRPMVACDH-QFIPXVFZSA-N |
| TotalMolweight | 364.464 |
| Molweight | 364.464 |
| MonoisotopicMass | 364.113315 |
| CLogP | 4.3694 |
| CLogS | -5.321 |
| H Acceptors | 3 |
| TotalSurfaceArea | 277.63 |
| Relative PSA | 0.14991 |
| PolarSurfaceArea | 59.59 |
| Druglikeness | -5.3643 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| StereoCon | this enantiomer |
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