(4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
Formula:C27H27N4O5FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione is not a drug-like molecule.
| MolName | (4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione |
| MolecularFormula | C27H27N4O5FS |
| Smiles | O/C(/c(cc1)ccc1S(N1CCCC1)(=O)=O)=C(\C(c(cc1)ccc1F)N(CCCn1cncc1)C1=O)/C1=O |
| InChI | InChI=1S/C27H27FN4O5S/c28-21-8-4-19(5-9-21)24-23(26(34)27(35)32(24)16-3-13-30-17-12-29-18-30)25(33)20-6-10-22(11-7-20)38(36,37)31-14-1-2-15-31/h4-12,17-18,24,33H,1-3,13-16H2/t24-/m1/s1 |
| InChIK | SMEOJKIDQCPNAI-XMMPIXPASA-N |
| TotalMolweight | 538.598 |
| Molweight | 538.598 |
| MonoisotopicMass | 538.168619 |
| CLogP | 1.9968 |
| CLogS | -1.972 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 382.86 |
| Relative PSA | 0.24213 |
| PolarSurfaceArea | 121.19 |
| Druglikeness | 2.495 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 10 |
| Symmetricatoms | 7 |
| Amides | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione | 2 - (4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
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