4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-N-[(Z)-2,3,4,5,6-pentahydroxyhexylideneamino]benzenesulfonamide
Formula:C16H20N4O9S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-N-[(Z)-2,3,4,5,6-pentahydroxyhexylideneamino]benzenesulfonamide is not a drug-like molecule.
| MolName | 4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-N-[(Z)-2,3,4,5,6-pentahydroxyhexylideneamino]benzenesulfonamide |
| MolecularFormula | C16H20N4O9S |
| Smiles | OCC(C(C(C(/C=N\NS(c1ccc(/C=C(/C(N2)=O)\NC2=O)cc1)(=O)=O)O)O)O)O |
| InChI | InChI=1S/C16H20N4O9S/c21-7-12(23)14(25)13(24)11(22)6-17-20-30(28,29)9-3-1-8(2-4-9)5-10-15(26)19-16(27)18-10/h1-6,11-14,20-25H,7H2,(H2,18,19,26,27) |
| InChIK | YYAPHQMVCCYYTJ-UHFFFAOYSA-N |
| TotalMolweight | 444.42 |
| Molweight | 444.42 |
| MonoisotopicMass | 444.095101 |
| CLogP | -3.4652 |
| CLogS | -0.765 |
| H Acceptors | 13 |
| H Donors | 8 |
| TotalSurfaceArea | 303.2 |
| Relative PSA | 0.54766 |
| PolarSurfaceArea | 226.26 |
| Druglikeness | 6.8979 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| StereoCenters | 4 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-N-[(Z)-2,3,4,5,6-pentahydroxyhexylideneamino]benzenesulfonamide | 2 - 4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-N-[(Z)-2,3,4,5,6-pentahydroxyhexylideneamino]benzenesulfonamide
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