(4Z)-4-[hydroxy(phenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]-5-pyridin-2-ylpyrrolidine-2,3-dione
Formula:C26H21N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4Z)-4-[hydroxy(phenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]-5-pyridin-2-ylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4Z)-4-[hydroxy(phenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]-5-pyridin-2-ylpyrrolidine-2,3-dione |
| MolecularFormula | C26H21N3O3 |
| Smiles | O/C(/c1ccccc1)=C(/C(c1ncccc1)N(CCc1c[nH]c2c1cccc2)C1=O)\C1=O |
| InChI | InChI=1S/C26H21N3O3/c30-24(17-8-2-1-3-9-17)22-23(21-12-6-7-14-27-21)29(26(32)25(22)31)15-13-18-16-28-20-11-5-4-10-19(18)20/h1-12,14,16,23,28,30H,13,15H2/t23-/m0/s1 |
| InChIK | UDUXUFPNMGCWKE-QHCPKHFHSA-N |
| TotalMolweight | 423.471 |
| Molweight | 423.471 |
| MonoisotopicMass | 423.158292 |
| CLogP | 2.8798 |
| CLogS | -3.337 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 317.3 |
| Relative PSA | 0.21333 |
| PolarSurfaceArea | 86.29 |
| Druglikeness | 1.0601 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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 |
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1 - (4Z)-4-[hydroxy(phenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]-5-pyridin-2-ylpyrrolidine-2,3-dione | 2 - (4Z)-4-[hydroxy(phenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]-5-pyridin-2-ylpyrrolidine-2,3-dione
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