(5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
Formula:C24H26N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C24H26N4O5S |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=C(/C(N2CC(N3CCOCC3)=O)=O)\SC2=O)c1)N1CCCC1 |
| InChI | InChI=1S/C24H26N4O5S/c29-21(25-7-3-4-8-25)15-27-14-17(18-5-1-2-6-19(18)27)13-20-23(31)28(24(32)34-20)16-22(30)26-9-11-33-12-10-26/h1-2,5-6,13-14H,3-4,7-12,15-16H2 |
| InChIK | RVBMKHXJWFCSEE-UHFFFAOYSA-N |
| TotalMolweight | 482.559 |
| Molweight | 482.559 |
| MonoisotopicMass | 482.162391 |
| CLogP | 1.2246 |
| CLogS | -2.243 |
| H Acceptors | 9 |
| TotalSurfaceArea | 348.26 |
| Relative PSA | 0.27902 |
| PolarSurfaceArea | 117.46 |
| Druglikeness | 4.6839 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
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