(3S)-3-benzyl-1-pyridin-2-ylpyrrolidine-2,5-dione
Formula:C16H14N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3S)-3-benzyl-1-pyridin-2-ylpyrrolidine-2,5-dione is a drug-like molecule.
| MolName | (3S)-3-benzyl-1-pyridin-2-ylpyrrolidine-2,5-dione |
| MolecularFormula | C16H14N2O2 |
| Smiles | O=C(C[C@H](Cc1ccccc1)C1=O)N1c1ncccc1 |
| InChI | InChI=1S/C16H14N2O2/c19-15-11-13(10-12-6-2-1-3-7-12)16(20)18(15)14-8-4-5-9-17-14/h1-9,13H,10-11H2/t13-/m0/s1 |
| InChIK | PUOQRPDRNRIXGO-ZDUSSCGKSA-N |
| TotalMolweight | 266.299 |
| Molweight | 266.299 |
| MonoisotopicMass | 266.105528 |
| CLogP | 2.0799 |
| CLogS | -3.327 |
| H Acceptors | 4 |
| TotalSurfaceArea | 204.1 |
| Relative PSA | 0.19892 |
| PolarSurfaceArea | 50.27 |
| Druglikeness | 2.7403 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (3S)-3-benzyl-1-pyridin-2-ylpyrrolidine-2,5-dione | 2 - (3S)-3-benzyl-1-pyridin-2-ylpyrrolidine-2,5-dione
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