(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(furan-2-yl)-1-(2-phenylethyl)pyrrolidine-2,3-dione
Formula:C25H21NO6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(furan-2-yl)-1-(2-phenylethyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(furan-2-yl)-1-(2-phenylethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C25H21NO6 |
| Smiles | O/C(/c(cc1)cc2c1OCCO2)=C(\C(c1ccco1)N(CCc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C25H21NO6/c27-23(17-8-9-18-20(15-17)32-14-13-31-18)21-22(19-7-4-12-30-19)26(25(29)24(21)28)11-10-16-5-2-1-3-6-16/h1-9,12,15,22,27H,10-11,13-14H2/t22-/m1/s1 |
| InChIK | MMGJOMPBMWKGMF-JOCHJYFZSA-N |
| TotalMolweight | 431.443 |
| Molweight | 431.443 |
| MonoisotopicMass | 431.136889 |
| CLogP | 2.9548 |
| CLogS | -3.447 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 318.08 |
| Relative PSA | 0.24157 |
| PolarSurfaceArea | 89.21 |
| Druglikeness | -6.4054 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(furan-2-yl)-1-(2-phenylethyl)pyrrolidine-2,3-dione | 2 - (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(furan-2-yl)-1-(2-phenylethyl)pyrrolidine-2,3-dione
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