(4E)-5-(furan-2-yl)-4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Formula:C25H29N3O8S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-5-(furan-2-yl)-4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione is not a drug-like molecule.
| MolName | (4E)-5-(furan-2-yl)-4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C25H29N3O8S |
| Smiles | O/C(/c(cc1)ccc1S(N1CCOCC1)(=O)=O)=C(\C(c1ccco1)N(CCN1CCOCC1)C1=O)/C1=O |
| InChI | InChI=1S/C25H29N3O8S/c29-23(18-3-5-19(6-4-18)37(32,33)27-11-16-35-17-12-27)21-22(20-2-1-13-36-20)28(25(31)24(21)30)8-7-26-9-14-34-15-10-26/h1-6,13,22,29H,7-12,14-17H2/t22-/m0/s1 |
| InChIK | HUFVPRBJOAWKKR-QFIPXVFZSA-N |
| TotalMolweight | 531.584 |
| Molweight | 531.584 |
| MonoisotopicMass | 531.167537 |
| CLogP | -0.1606 |
| CLogS | -0.526 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 376.56 |
| Relative PSA | 0.29881 |
| PolarSurfaceArea | 138.21 |
| Druglikeness | 2.1867 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 16 |
| Symmetricatoms | 7 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-5-(furan-2-yl)-4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione | 2 - (4E)-5-(furan-2-yl)-4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
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