1-cyclohexyl-3-[(E)-2-phenylethenyl]-3-(4-pyrrolidin-1-ylsulfonylanilino)pyrrolidine-2,5-dione
Formula:C28H33N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-cyclohexyl-3-[(E)-2-phenylethenyl]-3-(4-pyrrolidin-1-ylsulfonylanilino)pyrrolidine-2,5-dione is not a drug-like molecule.
| MolName | 1-cyclohexyl-3-[(E)-2-phenylethenyl]-3-(4-pyrrolidin-1-ylsulfonylanilino)pyrrolidine-2,5-dione |
| MolecularFormula | C28H33N3O4S |
| Smiles | O=C(CC1(/C=C/c2ccccc2)Nc(cc2)ccc2S(N2CCCC2)(=O)=O)N(C2CCCCC2)C1=O |
| InChI | InChI=1S/C28H33N3O4S/c32-26-21-28(18-17-22-9-3-1-4-10-22,27(33)31(26)24-11-5-2-6-12-24)29-23-13-15-25(16-14-23)36(34,35)30-19-7-8-20-30/h1,3-4,9-10,13-18,24,29H,2,5-8,11-12,19-21H2/t28-/m1/s1 |
| InChIK | KSAZAKHXTVZEQQ-MUUNZHRXSA-N |
| TotalMolweight | 507.653 |
| Molweight | 507.653 |
| MonoisotopicMass | 507.219177 |
| CLogP | 3.8248 |
| CLogS | -4.605 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 375.67 |
| Relative PSA | 0.19491 |
| PolarSurfaceArea | 95.17 |
| Druglikeness | 0.38185 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 13 |
| Symmetricatoms | 9 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 1-cyclohexyl-3-[(E)-2-phenylethenyl]-3-(4-pyrrolidin-1-ylsulfonylanilino)pyrrolidine-2,5-dione | 2 - 1-cyclohexyl-3-[(E)-2-phenylethenyl]-3-(4-pyrrolidin-1-ylsulfonylanilino)pyrrolidine-2,5-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off