(5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
Formula:C14H13N2O5IS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C14H13N2O5IS |
| Smiles | O=C(CN(C(/C(/S1)=C/c(o2)ccc2I)=O)C1=O)N1CCOCC1 |
| InChI | InChI=1S/C14H13IN2O5S/c15-11-2-1-9(22-11)7-10-13(19)17(14(20)23-10)8-12(18)16-3-5-21-6-4-16/h1-2,7H,3-6,8H2 |
| InChIK | BSDLPQQVWYDXIX-UHFFFAOYSA-N |
| TotalMolweight | 448.232 |
| Molweight | 448.232 |
| MonoisotopicMass | 447.958991 |
| CLogP | 0.7847 |
| CLogS | -2.72 |
| H Acceptors | 7 |
| TotalSurfaceArea | 257.08 |
| Relative PSA | 0.34161 |
| PolarSurfaceArea | 105.36 |
| Druglikeness | 5.5359 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
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