(5E)-5-[(2-hydroxyphenyl)methylidene]-3-naphthalen-1-yl-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
Formula:C30H20N2O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-5-[(2-hydroxyphenyl)methylidene]-3-naphthalen-1-yl-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5E)-5-[(2-hydroxyphenyl)methylidene]-3-naphthalen-1-yl-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C30H20N2O2S |
| Smiles | Oc1c(/C=C(\C(N2c3cccc4ccccc34)=O)/S/C2=N\c2cccc3ccccc23)cccc1 |
| InChI | InChI=1S/C30H20N2O2S/c33-27-18-6-3-11-22(27)19-28-29(34)32(26-17-8-13-21-10-2-5-15-24(21)26)30(35-28)31-25-16-7-12-20-9-1-4-14-23(20)25/h1-19,33H |
| InChIK | OUDSSVPGWLQQPT-UHFFFAOYSA-N |
| TotalMolweight | 472.567 |
| Molweight | 472.567 |
| MonoisotopicMass | 472.124548 |
| CLogP | 6.7211 |
| CLogS | -8.766 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 348.05 |
| Relative PSA | 0.16863 |
| PolarSurfaceArea | 78.2 |
| Druglikeness | 3.3679 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[(2-hydroxyphenyl)methylidene]-3-naphthalen-1-yl-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one | 2 - (5E)-5-[(2-hydroxyphenyl)methylidene]-3-naphthalen-1-yl-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
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