(4E)-1-[2-(2-hydroxyethylamino)ethyl]-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
Formula:C21H22N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-1-[2-(2-hydroxyethylamino)ethyl]-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-[2-(2-hydroxyethylamino)ethyl]-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione |
| MolecularFormula | C21H22N2O4 |
| Smiles | OCCNCCN(C(/C(/C1=O)=C(/c2ccccc2)\O)c2ccccc2)C1=O |
| InChI | InChI=1S/C21H22N2O4/c24-14-12-22-11-13-23-18(15-7-3-1-4-8-15)17(20(26)21(23)27)19(25)16-9-5-2-6-10-16/h1-10,18,22,24-25H,11-14H2/t18-/m0/s1 |
| InChIK | SIYFMYZTKOEEHU-SFHVURJKSA-N |
| TotalMolweight | 366.416 |
| Molweight | 366.416 |
| MonoisotopicMass | 366.157958 |
| CLogP | 0.852 |
| CLogS | -1.726 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 279.94 |
| Relative PSA | 0.24037 |
| PolarSurfaceArea | 89.87 |
| Druglikeness | 1.2318 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-1-[2-(2-hydroxyethylamino)ethyl]-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione | 2 - (4E)-1-[2-(2-hydroxyethylamino)ethyl]-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
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