(4E)-5-(furan-2-yl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
Formula:C21H23N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-5-(furan-2-yl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(furan-2-yl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione |
| MolecularFormula | C21H23N3O5 |
| Smiles | O/C(/c1ccncc1)=C(\C(c1ccco1)N(CCCN1CCOCC1)C1=O)/C1=O |
| InChI | InChI=1S/C21H23N3O5/c25-19(15-4-6-22-7-5-15)17-18(16-3-1-12-29-16)24(21(27)20(17)26)9-2-8-23-10-13-28-14-11-23/h1,3-7,12,18,25H,2,8-11,13-14H2/t18-/m1/s1 |
| InChIK | RVQVJKZULPYRMM-GOSISDBHSA-N |
| TotalMolweight | 397.43 |
| Molweight | 397.43 |
| MonoisotopicMass | 397.163772 |
| CLogP | 0.2501 |
| CLogS | -0.795 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 298.66 |
| Relative PSA | 0.27242 |
| PolarSurfaceArea | 96.11 |
| Druglikeness | 0.75329 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-5-(furan-2-yl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione | 2 - (4E)-5-(furan-2-yl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
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