4-[[4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid
Formula:C25H18NO5FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[[4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid |
| MolecularFormula | C25H18NO5FS |
| Smiles | OC(c1ccc(COc2ccc(/C=C(/C(N3Cc(cc4)ccc4F)=O)\SC3=O)cc2)cc1)=O |
| InChI | InChI=1S/C25H18FNO5S/c26-20-9-3-17(4-10-20)14-27-23(28)22(33-25(27)31)13-16-5-11-21(12-6-16)32-15-18-1-7-19(8-2-18)24(29)30/h1-13H,14-15H2,(H,29,30) |
| InChIK | RULHMXBFJFDUQW-UHFFFAOYSA-N |
| TotalMolweight | 463.484 |
| Molweight | 463.484 |
| MonoisotopicMass | 463.088972 |
| CLogP | 4.0944 |
| CLogS | -5.778 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 335.25 |
| Relative PSA | 0.24835 |
| PolarSurfaceArea | 109.21 |
| Druglikeness | 2.7288 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[[4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid | 2 - 4-[[4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid
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