5-[[3-[(Z)-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]methyl]furan-2-carboxylic acid
Formula:C24H16N2O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[[3-[(Z)-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]methyl]furan-2-carboxylic acid is a drug-like molecule.
| MolName | 5-[[3-[(Z)-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]methyl]furan-2-carboxylic acid |
| MolecularFormula | C24H16N2O5S |
| Smiles | OC(c1ccc(Cn2c(cccc3)c3c(/C=C(/C(N3c4ccccc4)=O)\SC3=O)c2)o1)=O |
| InChI | InChI=1S/C24H16N2O5S/c27-22-21(32-24(30)26(22)16-6-2-1-3-7-16)12-15-13-25(19-9-5-4-8-18(15)19)14-17-10-11-20(31-17)23(28)29/h1-13H,14H2,(H,28,29) |
| InChIK | OJMWCOZVJMBVAG-UHFFFAOYSA-N |
| TotalMolweight | 444.466 |
| Molweight | 444.466 |
| MonoisotopicMass | 444.077993 |
| CLogP | 3.495 |
| CLogS | -5.329 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 318.63 |
| Relative PSA | 0.29577 |
| PolarSurfaceArea | 118.05 |
| Druglikeness | 4.4304 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 5-[[3-[(Z)-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]methyl]furan-2-carboxylic acid | 2 - 5-[[3-[(Z)-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]methyl]furan-2-carboxylic acid
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