(4E,5S)-4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
Formula:C23H25N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(4E,5S)-4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-3-ylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E,5S)-4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-3-ylpyrrolidine-2,3-dione |
| MolecularFormula | C23H25N3O4 |
| Smiles | O/C(/c1ccccc1)=C(\[C@H](c1cnccc1)N(CCCN1CCOCC1)C1=O)/C1=O |
| InChI | InChI=1S/C23H25N3O4/c27-21(17-6-2-1-3-7-17)19-20(18-8-4-9-24-16-18)26(23(29)22(19)28)11-5-10-25-12-14-30-15-13-25/h1-4,6-9,16,20,27H,5,10-15H2/t20-/m1/s1 |
| InChIK | YETKQNNQYNZZNB-HXUWFJFHSA-N |
| TotalMolweight | 407.469 |
| Molweight | 407.469 |
| MonoisotopicMass | 407.184507 |
| CLogP | 1.0614 |
| CLogS | -1.113 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 308.97 |
| Relative PSA | 0.21766 |
| PolarSurfaceArea | 82.97 |
| Druglikeness | 0.81279 |
| Mutagenic | high |
| Tumorigenic | high |
| 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 | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (4E,5S)-4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-3-ylpyrrolidine-2,3-dione | 2 - (4E,5S)-4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
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