| MolName | 2-[3-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetamide |
| MolecularFormula | C21H17N4O3F |
| Smiles | NC(Cn1c(cccc2)c2c(/C=C(/C(N2Cc(cccc3)c3F)=O)\NC2=O)c1)=O |
| InChI | InChI=1S/C21H17FN4O3/c22-16-7-3-1-5-13(16)11-26-20(28)17(24-21(26)29)9-14-10-25(12-19(23)27)18-8-4-2-6-15(14)18/h1-10H,11-12H2,(H2,23,27)(H,24,29) |
| InChIK | MOERMAHECNKMIS-UHFFFAOYSA-N |
| TotalMolweight | 392.389 |
| Molweight | 392.389 |
| MonoisotopicMass | 392.128469 |
| CLogP | 1.3942 |
| CLogS | -3.755 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 285.43 |
| Relative PSA | 0.26721 |
| PolarSurfaceArea | 97.43 |
| Druglikeness | 4.7759 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Amides | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[3-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetamide | 2 - 2-[3-[(Z)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetamide