(4E,5S)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Formula:C24H24N3O6F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E,5S)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E,5S)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione |
| MolecularFormula | C24H24N3O6F |
| Smiles | [O-][N+](c1ccc([C@@H](/C(/C2=O)=C(/c(cc3)ccc3F)\O)N(CCCN3CCOCC3)C2=O)cc1)=O |
| InChI | InChI=1S/C24H24FN3O6/c25-18-6-2-17(3-7-18)22(29)20-21(16-4-8-19(9-5-16)28(32)33)27(24(31)23(20)30)11-1-10-26-12-14-34-15-13-26/h2-9,21,29H,1,10-15H2/t21-/m0/s1 |
| InChIK | MTQZOQLVZSRAHW-NRFANRHFSA-N |
| TotalMolweight | 469.468 |
| Molweight | 469.468 |
| MonoisotopicMass | 469.164915 |
| CLogP | 0.315 |
| CLogS | -2.682 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 340.23 |
| Relative PSA | 0.25483 |
| PolarSurfaceArea | 115.9 |
| Druglikeness | -5.5541 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (4E,5S)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione | 2 - (4E,5S)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
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