(4Z)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
Formula:C22H23N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(4Z)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4Z)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione |
| MolecularFormula | C22H23N3O4 |
| Smiles | O/C(/c1ccccc1)=C(/C(c1cnccc1)N(CCN1CCOCC1)C1=O)\C1=O |
| InChI | InChI=1S/C22H23N3O4/c26-20(16-5-2-1-3-6-16)18-19(17-7-4-8-23-15-17)25(22(28)21(18)27)10-9-24-11-13-29-14-12-24/h1-8,15,19,26H,9-14H2/t19-/m0/s1 |
| InChIK | SLTDCXKLHALABW-IBGZPJMESA-N |
| TotalMolweight | 393.442 |
| Molweight | 393.442 |
| MonoisotopicMass | 393.168857 |
| CLogP | 0.607 |
| CLogS | -0.843 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 295.21 |
| Relative PSA | 0.2278 |
| PolarSurfaceArea | 82.97 |
| Druglikeness | 0.77144 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| 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 | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (4Z)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione | 2 - (4Z)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
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