(E)-1-thiomorpholin-4-yl-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-en-1-one
Formula:C15H15NOS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-thiomorpholin-4-yl-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-thiomorpholin-4-yl-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-en-1-one |
| MolecularFormula | C15H15NOS3 |
| Smiles | O=C(/C=C/c1ccc(-c2cccs2)s1)N1CCSCC1 |
| InChI | InChI=1S/C15H15NOS3/c17-15(16-7-10-18-11-8-16)6-4-12-3-5-14(20-12)13-2-1-9-19-13/h1-6,9H,7-8,10-11H2 |
| InChIK | FXKDRVHGNYMJPH-UHFFFAOYSA-N |
| TotalMolweight | 321.488 |
| Molweight | 321.488 |
| MonoisotopicMass | 321.031574 |
| CLogP | 3.8584 |
| CLogS | -4.42 |
| H Acceptors | 2 |
| TotalSurfaceArea | 238.48 |
| Relative PSA | 0.31365 |
| PolarSurfaceArea | 102.09 |
| Druglikeness | 3.8367 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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