2-[(5Z)-5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
Formula:C21H16N3O6FS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5Z)-5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid is not a drug-like molecule.
| MolName | 2-[(5Z)-5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid |
| MolecularFormula | C21H16N3O6FS3 |
| Smiles | OS(CCN(C(/C(/S1)=C(\c(cccc2)c2N2CC(Nc(cc3)ccc3F)=O)/C2=O)=O)C1=S)(=O)=O |
| InChI | InChI=1S/C21H16FN3O6S3/c22-12-5-7-13(8-6-12)23-16(26)11-25-15-4-2-1-3-14(15)17(19(25)27)18-20(28)24(21(32)33-18)9-10-34(29,30)31/h1-8H,9-11H2,(H,23,26)(H,29,30,31) |
| InChIK | OCUWTPRGVBUDIG-UHFFFAOYSA-N |
| TotalMolweight | 521.569 |
| Molweight | 521.569 |
| MonoisotopicMass | 521.018525 |
| CLogP | -0.8463 |
| CLogS | -3.843 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 347.01 |
| Relative PSA | 0.41742 |
| PolarSurfaceArea | 189.86 |
| Druglikeness | -7.8412 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(5Z)-5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid | 2 - 2-[(5Z)-5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
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