(5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione
Formula:C21H20N3O3F
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C21H20N3O3F |
| Smiles | O=C(/C(/N1)=C/c(cc2)ccc2N2CCOCC2)N(Cc(cc2)ccc2F)C1=O |
| InChI | InChI=1S/C21H20FN3O3/c22-17-5-1-16(2-6-17)14-25-20(26)19(23-21(25)27)13-15-3-7-18(8-4-15)24-9-11-28-12-10-24/h1-8,13H,9-12,14H2,(H,23,27) |
| InChIK | LZGGRSFYJCDKJB-UHFFFAOYSA-N |
| TotalMolweight | 381.406 |
| Molweight | 381.406 |
| MonoisotopicMass | 381.14887 |
| CLogP | 2.3091 |
| CLogS | -4.114 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 283.44 |
| Relative PSA | 0.19277 |
| PolarSurfaceArea | 61.88 |
| Druglikeness | 2.9428 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione | 2 - (5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione
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