(E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylprop-2-enamide
Formula:C16H17NO2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylprop-2-enamide |
| MolecularFormula | C16H17NO2S2 |
| Smiles | O=C(/C=C/Sc1ccccc1)NCCSCc1ccco1 |
| InChI | InChI=1S/C16H17NO2S2/c18-16(8-11-21-15-6-2-1-3-7-15)17-9-12-20-13-14-5-4-10-19-14/h1-8,10-11H,9,12-13H2,(H,17,18) |
| InChIK | DHDRSYPSZUDBOR-UHFFFAOYSA-N |
| TotalMolweight | 319.448 |
| Molweight | 319.448 |
| MonoisotopicMass | 319.070069 |
| CLogP | 2.7025 |
| CLogS | -4.317 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 254.68 |
| Relative PSA | 0.28895 |
| PolarSurfaceArea | 92.84 |
| Druglikeness | 0.40575 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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