(4E)-5-(3,4-dichlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
Formula:C22H18N4O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-5-(3,4-dichlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(3,4-dichlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione |
| MolecularFormula | C22H18N4O3Cl2 |
| Smiles | O/C(/c1ccncc1)=C(\C(c(cc1)cc(Cl)c1Cl)N(CCCn1cncc1)C1=O)/C1=O |
| InChI | InChI=1S/C22H18Cl2N4O3/c23-16-3-2-15(12-17(16)24)19-18(20(29)14-4-6-25-7-5-14)21(30)22(31)28(19)10-1-9-27-11-8-26-13-27/h2-8,11-13,19,29H,1,9-10H2/t19-/m1/s1 |
| InChIK | GOOVHLXWBGUUCC-LJQANCHMSA-N |
| TotalMolweight | 457.316 |
| Molweight | 457.316 |
| MonoisotopicMass | 456.075595 |
| CLogP | 2.2423 |
| CLogS | -2.51 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 325.69 |
| Relative PSA | 0.21966 |
| PolarSurfaceArea | 88.32 |
| Druglikeness | 2.1782 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-5-(3,4-dichlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione | 2 - (4E)-5-(3,4-dichlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
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