(E)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate
Formula:C23H24N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate is a drug-like molecule.
| MolName | (E)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate |
| MolecularFormula | C23H24N2O4 |
| Smiles | [O-]/C(/c1ccccc1)=C(\C(c1ccccc1)N(CC[NH+]1CCOCC1)C1=O)/C1=O |
| InChI | InChI=1S/C23H24N2O4/c26-21(18-9-5-2-6-10-18)19-20(17-7-3-1-4-8-17)25(23(28)22(19)27)12-11-24-13-15-29-16-14-24/h1-10,20,26H,11-16H2/t20-/m0/s1 |
| InChIK | XYGANJWUXLRIRW-FQEVSTJZSA-N |
| TotalMolweight | 392.454 |
| Molweight | 392.454 |
| MonoisotopicMass | 392.173608 |
| CLogP | -2.5778 |
| CLogS | -1.638 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 311.67 |
| Relative PSA | 0.22941 |
| PolarSurfaceArea | 74.11 |
| Druglikeness | -1.5977 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate | 2 - (E)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate
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