1-[5-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]anthracene-9,10-dione
Formula:C28H15NO4S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-[5-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]anthracene-9,10-dione is not a drug-like molecule.
| MolName | 1-[5-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]anthracene-9,10-dione |
| MolecularFormula | C28H15NO4S2 |
| Smiles | O=C(/C(/SC1=S)=C\c2ccc(-c(cccc3C(c4c5cccc4)=O)c3C5=O)o2)N1c1ccccc1 |
| InChI | InChI=1S/C28H15NO4S2/c30-25-18-9-4-5-10-19(18)26(31)24-20(11-6-12-21(24)25)22-14-13-17(33-22)15-23-27(32)29(28(34)35-23)16-7-2-1-3-8-16/h1-15H |
| InChIK | KVCBTEUDFUJUTR-UHFFFAOYSA-N |
| TotalMolweight | 493.562 |
| Molweight | 493.562 |
| MonoisotopicMass | 493.044249 |
| CLogP | 5.205 |
| CLogS | -9.557 |
| H Acceptors | 5 |
| TotalSurfaceArea | 353.69 |
| Relative PSA | 0.28915 |
| PolarSurfaceArea | 124.98 |
| Druglikeness | 4.0814 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 1-[5-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]anthracene-9,10-dione | 2 - 1-[5-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]anthracene-9,10-dione
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