(4E)-4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
Formula:C26H31N3O7S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione is not a drug-like molecule.
| MolName | (4E)-4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione |
| MolecularFormula | C26H31N3O7S2 |
| Smiles | O/C(/c(cc1)ccc1S(N1CCOCC1)(=O)=O)=C(\C(c1cccs1)N(CCCN1CCOCC1)C1=O)/C1=O |
| InChI | InChI=1S/C26H31N3O7S2/c30-24(19-4-6-20(7-5-19)38(33,34)28-12-16-36-17-13-28)22-23(21-3-1-18-37-21)29(26(32)25(22)31)9-2-8-27-10-14-35-15-11-27/h1,3-7,18,23,30H,2,8-17H2/t23-/m0/s1 |
| InChIK | OMHNJYUPCQPXMB-QHCPKHFHSA-N |
| TotalMolweight | 561.678 |
| Molweight | 561.678 |
| MonoisotopicMass | 561.160342 |
| CLogP | 0.9717 |
| CLogS | -1.124 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 396.57 |
| Relative PSA | 0.29949 |
| PolarSurfaceArea | 153.31 |
| Druglikeness | 3.4375 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 17 |
| Symmetricatoms | 7 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione | 2 - (4E)-4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
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