(E)-2-cyano-N-(4-hydroxyphenyl)-3-(2-phenylsulfanylphenyl)prop-2-enamide
Formula:C22H16N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-(4-hydroxyphenyl)-3-(2-phenylsulfanylphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(4-hydroxyphenyl)-3-(2-phenylsulfanylphenyl)prop-2-enamide |
| MolecularFormula | C22H16N2O2S |
| Smiles | N#C/C(/C(Nc(cc1)ccc1O)=O)=C\c(cccc1)c1Sc1ccccc1 |
| InChI | InChI=1S/C22H16N2O2S/c23-15-17(22(26)24-18-10-12-19(25)13-11-18)14-16-6-4-5-9-21(16)27-20-7-2-1-3-8-20/h1-14,25H,(H,24,26) |
| InChIK | LZUZUIFGIQTGQN-UHFFFAOYSA-N |
| TotalMolweight | 372.447 |
| Molweight | 372.447 |
| MonoisotopicMass | 372.093248 |
| CLogP | 4.4637 |
| CLogS | -5.26 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 292.25 |
| Relative PSA | 0.2349 |
| PolarSurfaceArea | 98.42 |
| Druglikeness | -1.4072 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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