(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-phenylethyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
Formula:C34H29NO6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-phenylethyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione is not a drug-like molecule.
| MolName | (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-phenylethyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione |
| MolecularFormula | C34H29NO6 |
| Smiles | O/C(/c(cc1)cc2c1OCCO2)=C(\C(c(cc1)ccc1OCc1ccccc1)N(CCc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C34H29NO6/c36-32(26-13-16-28-29(21-26)40-20-19-39-28)30-31(35(34(38)33(30)37)18-17-23-7-3-1-4-8-23)25-11-14-27(15-12-25)41-22-24-9-5-2-6-10-24/h1-16,21,31,36H,17-20,22H2/t31-/m0/s1 |
| InChIK | PXVOAOIZUIXCAX-HKBQPEDESA-N |
| TotalMolweight | 547.605 |
| Molweight | 547.605 |
| MonoisotopicMass | 547.199489 |
| CLogP | 5.1142 |
| CLogS | -5.106 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 411.91 |
| Relative PSA | 0.17657 |
| PolarSurfaceArea | 85.3 |
| Druglikeness | -6.3867 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46341 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-phenylethyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione | 2 - (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-phenylethyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
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