5-[[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]methyl]-1,3-diazinane-2,4,6-trione
Formula:C15H11N3O5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
5-[[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]methyl]-1,3-diazinane-2,4,6-trione is a drug-like molecule.
| MolName | 5-[[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]methyl]-1,3-diazinane-2,4,6-trione |
| MolecularFormula | C15H11N3O5S2 |
| Smiles | Oc1cccc(/C=C(/C(N2CC(C(NC(N3)=O)=O)C3=O)=O)\SC2=S)c1 |
| InChI | InChI=1S/C15H11N3O5S2/c19-8-3-1-2-7(4-8)5-10-13(22)18(15(24)25-10)6-9-11(20)16-14(23)17-12(9)21/h1-5,9,19H,6H2,(H2,16,17,20,21,23) |
| InChIK | UAWVOAHBNQQEPO-UHFFFAOYSA-N |
| TotalMolweight | 377.4 |
| Molweight | 377.4 |
| MonoisotopicMass | 377.014012 |
| CLogP | -0.5901 |
| CLogS | -3.328 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 258 |
| Relative PSA | 0.53186 |
| PolarSurfaceArea | 173.2 |
| Druglikeness | 6.8641 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 3 |
| StereoCon |
Click to Load Molecule:
1 - 5-[[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]methyl]-1,3-diazinane-2,4,6-trione | 2 - 5-[[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]methyl]-1,3-diazinane-2,4,6-trione
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