1-cyclohexyl-3-(4-morpholin-4-ylsulfonylanilino)-3-[(E)-2-phenylethenyl]pyrrolidine-2,5-dione
Formula:C28H33N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-cyclohexyl-3-(4-morpholin-4-ylsulfonylanilino)-3-[(E)-2-phenylethenyl]pyrrolidine-2,5-dione is not a drug-like molecule.
| MolName | 1-cyclohexyl-3-(4-morpholin-4-ylsulfonylanilino)-3-[(E)-2-phenylethenyl]pyrrolidine-2,5-dione |
| MolecularFormula | C28H33N3O5S |
| Smiles | O=C(CC1(/C=C/c2ccccc2)Nc(cc2)ccc2S(N2CCOCC2)(=O)=O)N(C2CCCCC2)C1=O |
| InChI | InChI=1S/C28H33N3O5S/c32-26-21-28(16-15-22-7-3-1-4-8-22,27(33)31(26)24-9-5-2-6-10-24)29-23-11-13-25(14-12-23)37(34,35)30-17-19-36-20-18-30/h1,3-4,7-8,11-16,24,29H,2,5-6,9-10,17-21H2/t28-/m1/s1 |
| InChIK | LMWILXSLIOFTBA-MUUNZHRXSA-N |
| TotalMolweight | 523.652 |
| Molweight | 523.652 |
| MonoisotopicMass | 523.214092 |
| CLogP | 3.0028 |
| CLogS | -3.986 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 385.67 |
| Relative PSA | 0.21578 |
| PolarSurfaceArea | 104.4 |
| Druglikeness | -1.1663 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45946 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 14 |
| Symmetricatoms | 9 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon | racemate |
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1 - 1-cyclohexyl-3-(4-morpholin-4-ylsulfonylanilino)-3-[(E)-2-phenylethenyl]pyrrolidine-2,5-dione | 2 - 1-cyclohexyl-3-(4-morpholin-4-ylsulfonylanilino)-3-[(E)-2-phenylethenyl]pyrrolidine-2,5-dione
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