(4E)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
Formula:C21H22N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione |
| MolecularFormula | C21H22N2O4S |
| Smiles | O/C(/c1ccccc1)=C(\C(c1cccs1)N(CCN1CCOCC1)C1=O)/C1=O |
| InChI | InChI=1S/C21H22N2O4S/c24-19(15-5-2-1-3-6-15)17-18(16-7-4-14-28-16)23(21(26)20(17)25)9-8-22-10-12-27-13-11-22/h1-7,14,18,24H,8-13H2/t18-/m0/s1 |
| InChIK | CMMVRYFMALJWMR-SFHVURJKSA-N |
| TotalMolweight | 398.482 |
| Molweight | 398.482 |
| MonoisotopicMass | 398.130028 |
| CLogP | 1.4745 |
| CLogS | -1.648 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 292.39 |
| Relative PSA | 0.26212 |
| PolarSurfaceArea | 98.32 |
| Druglikeness | 2.1369 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione | 2 - (4E)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
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