2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid
Formula:C18H13NO4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid is a drug-like molecule.
| MolName | 2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid |
| MolecularFormula | C18H13NO4S2 |
| Smiles | OC(C(c1ccccc1)N(C(/C(/S1)=C\C=C\c2ccco2)=O)C1=S)=O |
| InChI | InChI=1S/C18H13NO4S2/c20-16-14(10-4-8-13-9-5-11-23-13)25-18(24)19(16)15(17(21)22)12-6-2-1-3-7-12/h1-11,15H,(H,21,22)/t15-/m1/s1 |
| InChIK | FVRPNLYYZVAICT-OAHLLOKOSA-N |
| TotalMolweight | 371.436 |
| Molweight | 371.436 |
| MonoisotopicMass | 371.028599 |
| CLogP | 1.6709 |
| CLogS | -4.001 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 275.27 |
| Relative PSA | 0.37174 |
| PolarSurfaceArea | 128.14 |
| Druglikeness | 3.6955 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid | 2 - 2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid
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