(4E)-4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
Formula:C23H25N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione |
| MolecularFormula | C23H25N3O4 |
| Smiles | O/C(/c1ccccc1)=C(\C(c1ncccc1)N(CCCN1CCOCC1)C1=O)/C1=O |
| InChI | InChI=1S/C23H25N3O4/c27-21(17-7-2-1-3-8-17)19-20(18-9-4-5-10-24-18)26(23(29)22(19)28)12-6-11-25-13-15-30-16-14-25/h1-5,7-10,20,27H,6,11-16H2/t20-/m0/s1 |
| InChIK | PWULDWCXTVJZBW-FQEVSTJZSA-N |
| TotalMolweight | 407.469 |
| Molweight | 407.469 |
| MonoisotopicMass | 407.184507 |
| CLogP | 1.1154 |
| CLogS | -1.137 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 308.97 |
| Relative PSA | 0.21766 |
| PolarSurfaceArea | 82.97 |
| Druglikeness | 0.81279 |
| 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 | 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 | racemate |
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1 - (4E)-4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione | 2 - (4E)-4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
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