(5Z)-3-cyclohexyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H17NO2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-3-cyclohexyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-cyclohexyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H17NO2S2 |
| Smiles | Oc1ccc(/C=C(/C(N2C3CCCCC3)=O)\SC2=S)cc1 |
| InChI | InChI=1S/C16H17NO2S2/c18-13-8-6-11(7-9-13)10-14-15(19)17(16(20)21-14)12-4-2-1-3-5-12/h6-10,12,18H,1-5H2 |
| InChIK | TVPWVAXJVHLONW-UHFFFAOYSA-N |
| TotalMolweight | 319.448 |
| Molweight | 319.448 |
| MonoisotopicMass | 319.070069 |
| CLogP | 2.6071 |
| CLogS | -4.416 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 236.87 |
| Relative PSA | 0.31739 |
| PolarSurfaceArea | 97.93 |
| Druglikeness | -2.0938 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-cyclohexyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-cyclohexyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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