(5E)-3-[(2-fluorophenyl)methyl]-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione
Formula:C24H17N2O3F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-3-[(2-fluorophenyl)methyl]-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-[(2-fluorophenyl)methyl]-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C24H17N2O3F |
| Smiles | C#CCOc1c(/C=C(\C(N2Cc(cccc3)c3F)=O)/NC2=O)c2ccccc2cc1 |
| InChI | InChI=1S/C24H17FN2O3/c1-2-13-30-22-12-11-16-7-3-5-9-18(16)19(22)14-21-23(28)27(24(29)26-21)15-17-8-4-6-10-20(17)25/h1,3-12,14H,13,15H2,(H,26,29) |
| InChIK | HRQQZLFKELYBJR-UHFFFAOYSA-N |
| TotalMolweight | 400.408 |
| Molweight | 400.408 |
| MonoisotopicMass | 400.122321 |
| CLogP | 3.7917 |
| CLogS | -6.259 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 303.77 |
| Relative PSA | 0.16819 |
| PolarSurfaceArea | 58.64 |
| Druglikeness | 3.3591 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Amides | 2 |
| StereoCon |
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1 - (5E)-3-[(2-fluorophenyl)methyl]-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione | 2 - (5E)-3-[(2-fluorophenyl)methyl]-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione
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