(4E)-5-(3-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione
Formula:C25H21NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-5-(3-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(3-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C25H21NO4 |
| Smiles | O/C(/c1ccccc1)=C(\C(c1cc(O)ccc1)N(CCc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C25H21NO4/c27-20-13-7-12-19(16-20)22-21(23(28)18-10-5-2-6-11-18)24(29)25(30)26(22)15-14-17-8-3-1-4-9-17/h1-13,16,22,27-28H,14-15H2/t22-/m0/s1 |
| InChIK | MZRJUTMXZPNDHJ-QFIPXVFZSA-N |
| TotalMolweight | 399.445 |
| Molweight | 399.445 |
| MonoisotopicMass | 399.147059 |
| CLogP | 3.4416 |
| CLogS | -3.287 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 300.72 |
| Relative PSA | 0.18565 |
| PolarSurfaceArea | 77.84 |
| Druglikeness | 0.73507 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-5-(3-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione | 2 - (4E)-5-(3-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione
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