(5Z)-3-phenyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C20H18N2O2S
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(5Z)-3-phenyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-phenyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C20H18N2O2S |
| Smiles | O=C(/C(/SC1=O)=C/c(cc2)ccc2N2CCCC2)N1c1ccccc1 |
| InChI | InChI=1S/C20H18N2O2S/c23-19-18(25-20(24)22(19)17-6-2-1-3-7-17)14-15-8-10-16(11-9-15)21-12-4-5-13-21/h1-3,6-11,14H,4-5,12-13H2 |
| InChIK | LKPWZRCOMXYIGC-UHFFFAOYSA-N |
| TotalMolweight | 350.441 |
| Molweight | 350.441 |
| MonoisotopicMass | 350.108898 |
| CLogP | 3.7285 |
| CLogS | -5.354 |
| H Acceptors | 4 |
| TotalSurfaceArea | 259.36 |
| Relative PSA | 0.19537 |
| PolarSurfaceArea | 65.92 |
| Druglikeness | 4.3168 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-phenyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-phenyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off