(4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-[2-(1H-indol-3-yl)ethyl]-5-pyridin-2-ylpyrrolidine-2,3-dione
Formula:C26H20N3O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-[2-(1H-indol-3-yl)ethyl]-5-pyridin-2-ylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-[2-(1H-indol-3-yl)ethyl]-5-pyridin-2-ylpyrrolidine-2,3-dione |
| MolecularFormula | C26H20N3O3F |
| Smiles | O/C(/c(cc1)ccc1F)=C(\C(c1ncccc1)N(CCc1c[nH]c2c1cccc2)C1=O)/C1=O |
| InChI | InChI=1S/C26H20FN3O3/c27-18-10-8-16(9-11-18)24(31)22-23(21-7-3-4-13-28-21)30(26(33)25(22)32)14-12-17-15-29-20-6-2-1-5-19(17)20/h1-11,13,15,23,29,31H,12,14H2/t23-/m1/s1 |
| InChIK | HOFQMXJJCOIXHI-HSZRJFAPSA-N |
| TotalMolweight | 441.461 |
| Molweight | 441.461 |
| MonoisotopicMass | 441.14887 |
| CLogP | 2.9806 |
| CLogS | -3.651 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 323.65 |
| Relative PSA | 0.20915 |
| PolarSurfaceArea | 86.29 |
| Druglikeness | -0.2799 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-[2-(1H-indol-3-yl)ethyl]-5-pyridin-2-ylpyrrolidine-2,3-dione | 2 - (4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-[2-(1H-indol-3-yl)ethyl]-5-pyridin-2-ylpyrrolidine-2,3-dione
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