3-[(4E)-4-[hydroxy(phenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]propanoic acid
Formula:C20H17NO5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-[(4E)-4-[hydroxy(phenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]propanoic acid is a drug-like molecule.
| MolName | 3-[(4E)-4-[hydroxy(phenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]propanoic acid |
| MolecularFormula | C20H17NO5 |
| Smiles | OC(CCN(C(/C(/C1=O)=C(/c2ccccc2)\O)c2ccccc2)C1=O)=O |
| InChI | InChI=1S/C20H17NO5/c22-15(23)11-12-21-17(13-7-3-1-4-8-13)16(19(25)20(21)26)18(24)14-9-5-2-6-10-14/h1-10,17,24H,11-12H2,(H,22,23)/t17-/m0/s1 |
| InChIK | RCIQQIFYMFSYNT-KRWDZBQOSA-N |
| TotalMolweight | 351.357 |
| Molweight | 351.357 |
| MonoisotopicMass | 351.110674 |
| CLogP | 1.5235 |
| CLogS | -2.193 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 258.71 |
| Relative PSA | 0.26621 |
| PolarSurfaceArea | 94.91 |
| Druglikeness | 0.52815 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - 3-[(4E)-4-[hydroxy(phenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]propanoic acid | 2 - 3-[(4E)-4-[hydroxy(phenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]propanoic acid
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