5-[[3-[(Z)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]methyl]furan-2-carboxylic acid
Formula:C24H16N2O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[[3-[(Z)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]methyl]furan-2-carboxylic acid is a drug-like molecule.
| MolName | 5-[[3-[(Z)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]methyl]furan-2-carboxylic acid |
| MolecularFormula | C24H16N2O4S2 |
| Smiles | OC(c1ccc(Cn2c(cccc3)c3c(/C=C(/C(N3c4ccccc4)=O)\SC3=S)c2)o1)=O |
| InChI | InChI=1S/C24H16N2O4S2/c27-22-21(32-24(31)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(30-17)23(28)29/h1-13H,14H2,(H,28,29) |
| InChIK | CKYKQRIPGJQZDH-UHFFFAOYSA-N |
| TotalMolweight | 460.533 |
| Molweight | 460.533 |
| MonoisotopicMass | 460.055148 |
| CLogP | 3.1498 |
| CLogS | -5.68 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 333.59 |
| Relative PSA | 0.32735 |
| PolarSurfaceArea | 133.07 |
| Druglikeness | 4.1272 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| 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 | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 5-[[3-[(Z)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]methyl]furan-2-carboxylic acid | 2 - 5-[[3-[(Z)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]methyl]furan-2-carboxylic acid
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