(E)-N-(2,3-dihydro-1H-inden-2-yl)-3-phenylsulfanylprop-2-enamide
Formula:C18H17NOS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2,3-dihydro-1H-inden-2-yl)-3-phenylsulfanylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2,3-dihydro-1H-inden-2-yl)-3-phenylsulfanylprop-2-enamide |
| MolecularFormula | C18H17NOS |
| Smiles | O=C(/C=C/Sc1ccccc1)NC(C1)Cc2c1cccc2 |
| InChI | InChI=1S/C18H17NOS/c20-18(10-11-21-17-8-2-1-3-9-17)19-16-12-14-6-4-5-7-15(14)13-16/h1-11,16H,12-13H2,(H,19,20) |
| InChIK | GYKCAHQGHCDJLW-UHFFFAOYSA-N |
| TotalMolweight | 295.405 |
| Molweight | 295.405 |
| MonoisotopicMass | 295.103084 |
| CLogP | 3.4522 |
| CLogS | -4.241 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 232.74 |
| Relative PSA | 0.18042 |
| PolarSurfaceArea | 54.4 |
| Druglikeness | 1.0627 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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