(5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
Formula:C24H21N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C24H21N3O4S |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=C(/C(N2c3ccccc3)=O)\SC2=O)c1)N1CCOCC1 |
| InChI | InChI=1S/C24H21N3O4S/c28-22(25-10-12-31-13-11-25)16-26-15-17(19-8-4-5-9-20(19)26)14-21-23(29)27(24(30)32-21)18-6-2-1-3-7-18/h1-9,14-15H,10-13,16H2 |
| InChIK | WSBBSLWWLHGAER-UHFFFAOYSA-N |
| TotalMolweight | 447.514 |
| Molweight | 447.514 |
| MonoisotopicMass | 447.125277 |
| CLogP | 2.5786 |
| CLogS | -3.997 |
| H Acceptors | 7 |
| TotalSurfaceArea | 324.67 |
| Relative PSA | 0.24819 |
| PolarSurfaceArea | 97.15 |
| Druglikeness | 4.5051 |
| 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 | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off