6-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Formula:C16H17NO4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid is a drug-like molecule.
| MolName | 6-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid |
| MolecularFormula | C16H17NO4S2 |
| Smiles | OC(CCCCCN(C(/C(/S1)=C/C=C/c2ccco2)=O)C1=S)=O |
| InChI | InChI=1S/C16H17NO4S2/c18-14(19)9-2-1-3-10-17-15(20)13(23-16(17)22)8-4-6-12-7-5-11-21-12/h4-8,11H,1-3,9-10H2,(H,18,19) |
| InChIK | GRSATFQZCHTSEB-UHFFFAOYSA-N |
| TotalMolweight | 351.446 |
| Molweight | 351.446 |
| MonoisotopicMass | 351.059899 |
| CLogP | 2.19 |
| CLogS | -3.987 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 271.81 |
| Relative PSA | 0.37648 |
| PolarSurfaceArea | 128.14 |
| Druglikeness | -5.3238 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 8 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 6-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid | 2 - 6-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
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