(4E)-5-(furan-2-yl)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Formula:C21H22N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-5-(furan-2-yl)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(furan-2-yl)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C21H22N2O5 |
| Smiles | O/C(/c1ccccc1)=C(\C(c1ccco1)N(CCN1CCOCC1)C1=O)/C1=O |
| InChI | InChI=1S/C21H22N2O5/c24-19(15-5-2-1-3-6-15)17-18(16-7-4-12-28-16)23(21(26)20(17)25)9-8-22-10-13-27-14-11-22/h1-7,12,18,24H,8-11,13-14H2/t18-/m1/s1 |
| InChIK | KJAAOQOQCMBFOL-GOSISDBHSA-N |
| TotalMolweight | 382.415 |
| Molweight | 382.415 |
| MonoisotopicMass | 382.152873 |
| CLogP | 0.7966 |
| CLogS | -1.32 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 286.14 |
| Relative PSA | 0.246 |
| PolarSurfaceArea | 83.22 |
| Druglikeness | 0.68003 |
| 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)-5-(furan-2-yl)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione | 2 - (4E)-5-(furan-2-yl)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
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