| MolName | 5-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C21H18N3OFS |
| Smiles | CN(C(C(S1)=Cc2cn(Cc(cc3)ccc3F)c3c2cccc3)=O)/C1=N\C |
| InChI | InChI=1S/C21H18FN3OS/c1-23-21-24(2)20(26)19(27-21)11-15-13-25(18-6-4-3-5-17(15)18)12-14-7-9-16(22)10-8-14/h3-11,13H,12H2,1-2H3 |
| InChIK | GDPBFCNCOOJXKE-UHFFFAOYSA-N |
| TotalMolweight | 379.458 |
| Molweight | 379.458 |
| MonoisotopicMass | 379.11546 |
| CLogP | 3.4992 |
| CLogS | -4.135 |
| H Acceptors | 4 |
| TotalSurfaceArea | 281.17 |
| Relative PSA | 0.18658 |
| PolarSurfaceArea | 62.9 |
| Druglikeness | 4.0818 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 5-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one | 2 - 5-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one