(5E)-5-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
Formula:C20H13N2O3Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione |
| MolecularFormula | C20H13N2O3Cl2F |
| Smiles | C#CCOc(c(Cl)cc(/C=C(\C(N1Cc(cccc2)c2F)=O)/NC1=O)c1)c1Cl |
| InChI | InChI=1S/C20H13Cl2FN2O3/c1-2-7-28-18-14(21)8-12(9-15(18)22)10-17-19(26)25(20(27)24-17)11-13-5-3-4-6-16(13)23/h1,3-6,8-10H,7,11H2,(H,24,27) |
| InChIK | BZXGYHLAFZYWDV-UHFFFAOYSA-N |
| TotalMolweight | 419.238 |
| Molweight | 419.238 |
| MonoisotopicMass | 418.028725 |
| CLogP | 3.8093 |
| CLogS | -6.125 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 300.01 |
| Relative PSA | 0.17029 |
| PolarSurfaceArea | 58.64 |
| Druglikeness | 3.4155 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-5-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione | 2 - (5E)-5-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off