3-[(5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Formula:C21H15N2O4FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid is a drug-like molecule.
| MolName | 3-[(5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid |
| MolecularFormula | C21H15N2O4FS2 |
| Smiles | OC(CCN(C(/C(/S1)=C(\c(cccc2)c2N2Cc(cccc3)c3F)/C2=O)=O)C1=S)=O |
| InChI | InChI=1S/C21H15FN2O4S2/c22-14-7-3-1-5-12(14)11-24-15-8-4-2-6-13(15)17(19(24)27)18-20(28)23(21(29)30-18)10-9-16(25)26/h1-8H,9-11H2,(H,25,26) |
| InChIK | JBBAOAQVQHVPRZ-UHFFFAOYSA-N |
| TotalMolweight | 442.49 |
| Molweight | 442.49 |
| MonoisotopicMass | 442.045726 |
| CLogP | 1.2578 |
| CLogS | -4.413 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 306.97 |
| Relative PSA | 0.34143 |
| PolarSurfaceArea | 135.31 |
| Druglikeness | 3.2891 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[(5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid | 2 - 3-[(5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
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