6-[(5Z)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Formula:C23H23NO4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(5Z)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid is a drug-like molecule.
| MolName | 6-[(5Z)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid |
| MolecularFormula | C23H23NO4S2 |
| Smiles | OC(CCCCCN(C(/C(/S1)=C/c2cc(OCc3ccccc3)ccc2)=O)C1=S)=O |
| InChI | InChI=1S/C23H23NO4S2/c25-21(26)12-5-2-6-13-24-22(27)20(30-23(24)29)15-18-10-7-11-19(14-18)28-16-17-8-3-1-4-9-17/h1,3-4,7-11,14-15H,2,5-6,12-13,16H2,(H,25,26) |
| InChIK | MDQAAYABMGVSER-UHFFFAOYSA-N |
| TotalMolweight | 441.571 |
| Molweight | 441.571 |
| MonoisotopicMass | 441.106849 |
| CLogP | 3.6928 |
| CLogS | -5.334 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 339.14 |
| Relative PSA | 0.28961 |
| PolarSurfaceArea | 124.23 |
| Druglikeness | -5.5624 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 6-[(5Z)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid | 2 - 6-[(5Z)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
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