(E)-3-(5-morpholin-4-ylthiadiazol-4-yl)-1-thiophen-2-ylprop-2-en-1-one
Formula:C13H13N3O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(5-morpholin-4-ylthiadiazol-4-yl)-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(5-morpholin-4-ylthiadiazol-4-yl)-1-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C13H13N3O2S2 |
| Smiles | O=C(/C=C/c1c(N2CCOCC2)snn1)c1cccs1 |
| InChI | InChI=1S/C13H13N3O2S2/c17-11(12-2-1-9-19-12)4-3-10-13(20-15-14-10)16-5-7-18-8-6-16/h1-4,9H,5-8H2 |
| InChIK | YNIYNPRWUHPJOD-UHFFFAOYSA-N |
| TotalMolweight | 307.397 |
| Molweight | 307.397 |
| MonoisotopicMass | 307.044917 |
| CLogP | 2.0138 |
| CLogS | -3.764 |
| H Acceptors | 5 |
| TotalSurfaceArea | 228.51 |
| Relative PSA | 0.39057 |
| PolarSurfaceArea | 111.8 |
| Druglikeness | 0.071985 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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