(4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(oxolan-2-ylmethyl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
Formula:C28H24NO5F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(oxolan-2-ylmethyl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(oxolan-2-ylmethyl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione |
| MolecularFormula | C28H24NO5F |
| Smiles | O/C(/c(cc1)ccc1F)=C(\C(c1cc(Oc2ccccc2)ccc1)N(CC1OCCC1)C1=O)/C1=O |
| InChI | InChI=1S/C28H24FNO5/c29-20-13-11-18(12-14-20)26(31)24-25(30(28(33)27(24)32)17-23-10-5-15-34-23)19-6-4-9-22(16-19)35-21-7-2-1-3-8-21/h1-4,6-9,11-14,16,23,25,31H,5,10,15,17H2 |
| InChIK | YPQUOZLOPZCMHO-UHFFFAOYSA-N |
| TotalMolweight | 473.499 |
| Molweight | 473.499 |
| MonoisotopicMass | 473.163852 |
| CLogP | 3.7353 |
| CLogS | -5.444 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 347.24 |
| Relative PSA | 0.18065 |
| PolarSurfaceArea | 76.07 |
| Druglikeness | -2.2815 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(oxolan-2-ylmethyl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione | 2 - (4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(oxolan-2-ylmethyl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off