(4E)-1-benzyl-4-[hydroxy(phenyl)methylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
Formula:C30H23NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-1-benzyl-4-[hydroxy(phenyl)methylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-benzyl-4-[hydroxy(phenyl)methylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione |
| MolecularFormula | C30H23NO4 |
| Smiles | O/C(/c1ccccc1)=C(\C(c1cc(Oc2ccccc2)ccc1)N(Cc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C30H23NO4/c32-28(22-13-6-2-7-14-22)26-27(31(30(34)29(26)33)20-21-11-4-1-5-12-21)23-15-10-18-25(19-23)35-24-16-8-3-9-17-24/h1-19,27,32H,20H2/t27-/m0/s1 |
| InChIK | HUBVKSNWKAMTTN-MHZLTWQESA-N |
| TotalMolweight | 461.516 |
| Molweight | 461.516 |
| MonoisotopicMass | 461.162709 |
| CLogP | 4.7528 |
| CLogS | -5.768 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 350.37 |
| Relative PSA | 0.1505 |
| PolarSurfaceArea | 66.84 |
| Druglikeness | 0.50349 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-1-benzyl-4-[hydroxy(phenyl)methylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione | 2 - (4E)-1-benzyl-4-[hydroxy(phenyl)methylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
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