(4E)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Formula:C23H23N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione |
| MolecularFormula | C23H23N3O6 |
| Smiles | [O-][N+](c1ccc(C(/C(/C2=O)=C(/c3ccccc3)\O)N(CCN3CCOCC3)C2=O)cc1)=O |
| InChI | InChI=1S/C23H23N3O6/c27-21(17-4-2-1-3-5-17)19-20(16-6-8-18(9-7-16)26(30)31)25(23(29)22(19)28)11-10-24-12-14-32-15-13-24/h1-9,20,27H,10-15H2/t20-/m1/s1 |
| InChIK | YCZCXVDKBAQWRP-HXUWFJFHSA-N |
| TotalMolweight | 437.451 |
| Molweight | 437.451 |
| MonoisotopicMass | 437.158687 |
| CLogP | -0.2402 |
| CLogS | -2.098 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 320.12 |
| Relative PSA | 0.27084 |
| PolarSurfaceArea | 115.9 |
| Druglikeness | -4.268 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione | 2 - (4E)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off