bis[2-(2-oxopyrrolidin-1-yl)ethyl] (E)-pent-2-enedioate
Formula:C17H24N2O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
bis[2-(2-oxopyrrolidin-1-yl)ethyl] (E)-pent-2-enedioate is a drug-like molecule.
| MolName | bis[2-(2-oxopyrrolidin-1-yl)ethyl] (E)-pent-2-enedioate |
| MolecularFormula | C17H24N2O6 |
| Smiles | O=C(C/C=C/C(OCCN(CCC1)C1=O)=O)OCCN(CCC1)C1=O |
| InChI | InChI=1S/C17H24N2O6/c20-14-4-2-8-18(14)10-12-24-16(22)6-1-7-17(23)25-13-11-19-9-3-5-15(19)21/h1,6H,2-5,7-13H2 |
| InChIK | MBGFTVVOIVKDOC-UHFFFAOYSA-N |
| TotalMolweight | 352.386 |
| Molweight | 352.386 |
| MonoisotopicMass | 352.163438 |
| CLogP | 0.2406 |
| CLogS | -0.954 |
| H Acceptors | 8 |
| TotalSurfaceArea | 275.96 |
| Relative PSA | 0.28722 |
| PolarSurfaceArea | 93.22 |
| Druglikeness | -0.74902 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 11 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 13 |
| Amides | 2 |
| StereoCon |
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1 - bis[2-(2-oxopyrrolidin-1-yl)ethyl] (E)-pent-2-enedioate | 2 - bis[2-(2-oxopyrrolidin-1-yl)ethyl] (E)-pent-2-enedioate
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