(4E)-1-benzyl-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
Formula:C30H22NO4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-1-benzyl-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-benzyl-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione |
| MolecularFormula | C30H22NO4F |
| Smiles | O/C(/c(cc1)ccc1F)=C(\C(c1cc(Oc2ccccc2)ccc1)N(Cc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C30H22FNO4/c31-23-16-14-21(15-17-23)28(33)26-27(32(30(35)29(26)34)19-20-8-3-1-4-9-20)22-10-7-13-25(18-22)36-24-11-5-2-6-12-24/h1-18,27,33H,19H2/t27-/m1/s1 |
| InChIK | HIUATVGNZPOJFR-HHHXNRCGSA-N |
| TotalMolweight | 479.506 |
| Molweight | 479.506 |
| MonoisotopicMass | 479.153287 |
| CLogP | 4.8536 |
| CLogS | -6.082 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 356.72 |
| Relative PSA | 0.14782 |
| PolarSurfaceArea | 66.84 |
| Druglikeness | -0.83651 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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 |
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1 - (4E)-1-benzyl-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione | 2 - (4E)-1-benzyl-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
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