2-[3-[(Z)-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
Formula:C18H12NO4FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[3-[(Z)-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C18H12NO4FS2 |
| Smiles | OC(COc1cccc(/C=C(/C(N2c(cc3)ccc3F)=O)\SC2=S)c1)=O |
| InChI | InChI=1S/C18H12FNO4S2/c19-12-4-6-13(7-5-12)20-17(23)15(26-18(20)25)9-11-2-1-3-14(8-11)24-10-16(21)22/h1-9H,10H2,(H,21,22) |
| InChIK | RCEMAGHDWMKMRP-UHFFFAOYSA-N |
| TotalMolweight | 389.426 |
| Molweight | 389.426 |
| MonoisotopicMass | 389.019177 |
| CLogP | 2.0531 |
| CLogS | -5.09 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 276.69 |
| Relative PSA | 0.35498 |
| PolarSurfaceArea | 124.23 |
| Druglikeness | 1.6816 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[3-[(Z)-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid | 2 - 2-[3-[(Z)-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
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