(5E)-5-(furan-2-ylmethylidene)-3-(oxolan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one
Formula:C13H14N2O3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(5E)-5-(furan-2-ylmethylidene)-3-(oxolan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-(furan-2-ylmethylidene)-3-(oxolan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C13H14N2O3S |
| Smiles | O=C(/C(/N1)=C\c2ccco2)N(CC2OCCC2)C1=S |
| InChI | InChI=1S/C13H14N2O3S/c16-12-11(7-9-3-1-5-17-9)14-13(19)15(12)8-10-4-2-6-18-10/h1,3,5,7,10H,2,4,6,8H2,(H,14,19)/t10-/m1/s1 |
| InChIK | JLIWMYKKOKGMOA-SNVBAGLBSA-N |
| TotalMolweight | 278.331 |
| Molweight | 278.331 |
| MonoisotopicMass | 278.072513 |
| CLogP | 0.9702 |
| CLogS | -2.825 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 210.42 |
| Relative PSA | 0.38095 |
| PolarSurfaceArea | 86.8 |
| Druglikeness | 2.5453 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| Amides | 1 |
| StereoCon | racemate |
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