(5E)-3-[(4-chlorophenyl)methyl]-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
Formula:C21H14N2O3ClF
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-3-[(4-chlorophenyl)methyl]-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-[(4-chlorophenyl)methyl]-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C21H14N2O3ClF |
| Smiles | O=C(/C(/N1)=C\c2ccc(-c3cc(F)ccc3)o2)N(Cc(cc2)ccc2Cl)C1=O |
| InChI | InChI=1S/C21H14ClFN2O3/c22-15-6-4-13(5-7-15)12-25-20(26)18(24-21(25)27)11-17-8-9-19(28-17)14-2-1-3-16(23)10-14/h1-11H,12H2,(H,24,27) |
| InChIK | BHVHLBIBXMOVTH-UHFFFAOYSA-N |
| TotalMolweight | 396.804 |
| Molweight | 396.804 |
| MonoisotopicMass | 396.067698 |
| CLogP | 4.185 |
| CLogS | -6.207 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 286.47 |
| Relative PSA | 0.19269 |
| PolarSurfaceArea | 62.55 |
| Druglikeness | 4.396 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5E)-3-[(4-chlorophenyl)methyl]-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione | 2 - (5E)-3-[(4-chlorophenyl)methyl]-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
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