(4E,5R)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-5-phenylpyrrolidine-2,3-dione
Formula:C23H23N2O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E,5R)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-5-phenylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E,5R)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-5-phenylpyrrolidine-2,3-dione |
| MolecularFormula | C23H23N2O4F |
| Smiles | O/C(/c(cc1)ccc1F)=C(\[C@@H](c1ccccc1)N(CCN1CCOCC1)C1=O)/C1=O |
| InChI | InChI=1S/C23H23FN2O4/c24-18-8-6-17(7-9-18)21(27)19-20(16-4-2-1-3-5-16)26(23(29)22(19)28)11-10-25-12-14-30-15-13-25/h1-9,20,27H,10-15H2/t20-/m1/s1 |
| InChIK | GCNMYUKMRWPNLG-HXUWFJFHSA-N |
| TotalMolweight | 410.444 |
| Molweight | 410.444 |
| MonoisotopicMass | 410.164186 |
| CLogP | 1.7087 |
| CLogS | -1.952 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 302.8 |
| Relative PSA | 0.18587 |
| PolarSurfaceArea | 70.08 |
| Druglikeness | -0.56856 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (4E,5R)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-5-phenylpyrrolidine-2,3-dione | 2 - (4E,5R)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-5-phenylpyrrolidine-2,3-dione
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