(5E)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]imidazolidine-2,4-dione
Formula:C14H10N2O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C14H10N2O3S |
| Smiles | O=C(/C(/N1)=C\c(o2)ccc2Sc2ccccc2)NC1=O |
| InChI | InChI=1S/C14H10N2O3S/c17-13-11(15-14(18)16-13)8-9-6-7-12(19-9)20-10-4-2-1-3-5-10/h1-8H,(H2,15,16,17,18) |
| InChIK | PHCOLQOIOOXFJK-UHFFFAOYSA-N |
| TotalMolweight | 286.31 |
| Molweight | 286.31 |
| MonoisotopicMass | 286.041213 |
| CLogP | 1.9755 |
| CLogS | -3.967 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 209.83 |
| Relative PSA | 0.38412 |
| PolarSurfaceArea | 96.64 |
| Druglikeness | 4.4051 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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