4-[5-[(E)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
Formula:C27H18N2O4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[5-[(E)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid is not a drug-like molecule.
| MolName | 4-[5-[(E)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C27H18N2O4S |
| Smiles | OC(c(cc1)ccc1-c1ccc(/C=C(\C(N2c3ccccc3)=O)/S/C2=N\c2ccccc2)o1)=O |
| InChI | InChI=1S/C27H18N2O4S/c30-25-24(17-22-15-16-23(33-22)18-11-13-19(14-12-18)26(31)32)34-27(28-20-7-3-1-4-8-20)29(25)21-9-5-2-6-10-21/h1-17H,(H,31,32) |
| InChIK | OSQMSFFQFBLXJV-UHFFFAOYSA-N |
| TotalMolweight | 466.516 |
| Molweight | 466.516 |
| MonoisotopicMass | 466.098728 |
| CLogP | 5.102 |
| CLogS | -7.323 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 346.05 |
| Relative PSA | 0.24806 |
| PolarSurfaceArea | 108.41 |
| Druglikeness | 4.2225 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[5-[(E)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid | 2 - 4-[5-[(E)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
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