(4E,5S)-5-(3,4-dichlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Formula:C23H22N2O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E,5S)-5-(3,4-dichlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E,5S)-5-(3,4-dichlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C23H22N2O4Cl2 |
| Smiles | O/C(/c1ccccc1)=C(\[C@H](c(cc1)cc(Cl)c1Cl)N(CCN1CCOCC1)C1=O)/C1=O |
| InChI | InChI=1S/C23H22Cl2N2O4/c24-17-7-6-16(14-18(17)25)20-19(21(28)15-4-2-1-3-5-15)22(29)23(30)27(20)9-8-26-10-12-31-13-11-26/h1-7,14,20,28H,8-13H2/t20-/m0/s1 |
| InChIK | GKVYSFYOPXQPBC-FQEVSTJZSA-N |
| TotalMolweight | 461.344 |
| Molweight | 461.344 |
| MonoisotopicMass | 460.095662 |
| CLogP | 2.8199 |
| CLogS | -3.11 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 327.29 |
| Relative PSA | 0.17196 |
| PolarSurfaceArea | 70.08 |
| Druglikeness | 0.81027 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (4E,5S)-5-(3,4-dichlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione | 2 - (4E,5S)-5-(3,4-dichlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off