(4E)-5-(3-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione
Formula:C24H20N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-5-(3-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(3-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C24H20N2O4 |
| Smiles | O/C(/c1ccncc1)=C(\C(c1cc(O)ccc1)N(CCc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C24H20N2O4/c27-19-8-4-7-18(15-19)21-20(22(28)17-9-12-25-13-10-17)23(29)24(30)26(21)14-11-16-5-2-1-3-6-16/h1-10,12-13,15,21,27-28H,11,14H2/t21-/m0/s1 |
| InChIK | LIPGRQUIACDABS-NRFANRHFSA-N |
| TotalMolweight | 400.433 |
| Molweight | 400.433 |
| MonoisotopicMass | 400.142308 |
| CLogP | 2.4407 |
| CLogS | -2.492 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 299.48 |
| Relative PSA | 0.22305 |
| PolarSurfaceArea | 90.73 |
| Druglikeness | 0.73507 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-5-(3-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione | 2 - (4E)-5-(3-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione
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