(5E)-5-[(2-methoxyphenyl)methylidene]-3-morpholin-4-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C15H16N2O3S2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(5E)-5-[(2-methoxyphenyl)methylidene]-3-morpholin-4-yl-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(2-methoxyphenyl)methylidene]-3-morpholin-4-yl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C15H16N2O3S2 |
| Smiles | COc1c(/C=C(\C(N2N3CCOCC3)=O)/SC2=S)cccc1 |
| InChI | InChI=1S/C15H16N2O3S2/c1-19-12-5-3-2-4-11(12)10-13-14(18)17(15(21)22-13)16-6-8-20-9-7-16/h2-5,10H,6-9H2,1H3 |
| InChIK | MKJKFTSKLUWPEU-UHFFFAOYSA-N |
| TotalMolweight | 336.435 |
| Molweight | 336.435 |
| MonoisotopicMass | 336.060233 |
| CLogP | -0.3089 |
| CLogS | -2.812 |
| H Acceptors | 5 |
| TotalSurfaceArea | 246.82 |
| Relative PSA | 0.34693 |
| PolarSurfaceArea | 99.4 |
| Druglikeness | 3.0449 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| StereoCon |
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