(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-phenyl-1-(2-phenylethyl)pyrrolidine-2,3-dione
Formula:C27H23NO5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-phenyl-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-phenyl-1-(2-phenylethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C27H23NO5 |
| Smiles | O/C(/c(cc1)cc2c1OCCO2)=C(\C(c1ccccc1)N(CCc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C27H23NO5/c29-25(20-11-12-21-22(17-20)33-16-15-32-21)23-24(19-9-5-2-6-10-19)28(27(31)26(23)30)14-13-18-7-3-1-4-8-18/h1-12,17,24,29H,13-16H2/t24-/m0/s1 |
| InChIK | XAQMSBZBCBDDOU-DEOSSOPVSA-N |
| TotalMolweight | 441.482 |
| Molweight | 441.482 |
| MonoisotopicMass | 441.157624 |
| CLogP | 3.7661 |
| CLogS | -3.765 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 328.39 |
| Relative PSA | 0.19102 |
| PolarSurfaceArea | 76.07 |
| Druglikeness | -6.3867 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-phenyl-1-(2-phenylethyl)pyrrolidine-2,3-dione | 2 - (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-phenyl-1-(2-phenylethyl)pyrrolidine-2,3-dione
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