2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-2-phenylacetic acid
Formula:C16H11NO3S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-2-phenylacetic acid is a drug-like molecule.
| MolName | 2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-2-phenylacetic acid |
| MolecularFormula | C16H11NO3S3 |
| Smiles | OC(C(c1ccccc1)N(C(/C(/S1)=C\c2cccs2)=O)C1=S)=O |
| InChI | InChI=1S/C16H11NO3S3/c18-14-12(9-11-7-4-8-22-11)23-16(21)17(14)13(15(19)20)10-5-2-1-3-6-10/h1-9,13H,(H,19,20)/t13-/m1/s1 |
| InChIK | GAVXWEDWPSEUAS-CYBMUJFWSA-N |
| TotalMolweight | 361.465 |
| Molweight | 361.465 |
| MonoisotopicMass | 360.990104 |
| CLogP | 1.6922 |
| CLogS | -4.017 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 255.02 |
| Relative PSA | 0.42577 |
| PolarSurfaceArea | 143.24 |
| Druglikeness | 4.0867 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - 2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-2-phenylacetic acid | 2 - 2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-2-phenylacetic acid
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