(2Z,5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(2-oxo-2-pyrrolidin-1-ylethylidene)-1,3-thiazolidin-4-one
Formula:C16H16N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z,5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(2-oxo-2-pyrrolidin-1-ylethylidene)-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (2Z,5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(2-oxo-2-pyrrolidin-1-ylethylidene)-1,3-thiazolidin-4-one |
| MolecularFormula | C16H16N2O3S |
| Smiles | Oc1c(/C=C(/C(N2)=O)\S/C2=C\C(N2CCCC2)=O)cccc1 |
| InChI | InChI=1S/C16H16N2O3S/c19-12-6-2-1-5-11(12)9-13-16(21)17-14(22-13)10-15(20)18-7-3-4-8-18/h1-2,5-6,9-10,19H,3-4,7-8H2,(H,17,21) |
| InChIK | JOSVQBGAYBOXJH-UHFFFAOYSA-N |
| TotalMolweight | 316.38 |
| Molweight | 316.38 |
| MonoisotopicMass | 316.088163 |
| CLogP | 2.1175 |
| CLogS | -3.079 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 231.82 |
| Relative PSA | 0.30921 |
| PolarSurfaceArea | 94.94 |
| Druglikeness | 4.1707 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (2Z,5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(2-oxo-2-pyrrolidin-1-ylethylidene)-1,3-thiazolidin-4-one | 2 - (2Z,5Z)-5-[(2-hydroxyphenyl)methylidene]-2-(2-oxo-2-pyrrolidin-1-ylethylidene)-1,3-thiazolidin-4-one
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