(4E)-4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
Formula:C26H30N4O7S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(4E)-4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione is not a drug-like molecule.
| MolName | (4E)-4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione |
| MolecularFormula | C26H30N4O7S |
| Smiles | O/C(/c(cc1)ccc1S(N1CCOCC1)(=O)=O)=C(\C(c1cnccc1)N(CCN1CCOCC1)C1=O)/C1=O |
| InChI | InChI=1S/C26H30N4O7S/c31-24(19-3-5-21(6-4-19)38(34,35)29-12-16-37-17-13-29)22-23(20-2-1-7-27-18-20)30(26(33)25(22)32)9-8-28-10-14-36-15-11-28/h1-7,18,23,31H,8-17H2/t23-/m1/s1 |
| InChIK | MTDHOHXVORQAIT-HSZRJFAPSA-N |
| TotalMolweight | 542.611 |
| Molweight | 542.611 |
| MonoisotopicMass | 542.183521 |
| CLogP | -0.3502 |
| CLogS | -0.049 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 385.63 |
| Relative PSA | 0.28364 |
| PolarSurfaceArea | 137.96 |
| Druglikeness | 2.6113 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 16 |
| Symmetricatoms | 7 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione | 2 - (4E)-4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
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