(5Z)-5-benzylidene-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
Formula:C15H16N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-benzylidene-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-benzylidene-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C15H16N2O3S |
| Smiles | O=C(/C(/S1)=C/c2ccccc2)N(CN2CCOCC2)C1=O |
| InChI | InChI=1S/C15H16N2O3S/c18-14-13(10-12-4-2-1-3-5-12)21-15(19)17(14)11-16-6-8-20-9-7-16/h1-5,10H,6-9,11H2 |
| InChIK | KFYDLVGGZHAWDB-UHFFFAOYSA-N |
| TotalMolweight | 304.369 |
| Molweight | 304.369 |
| MonoisotopicMass | 304.088163 |
| CLogP | 1.4305 |
| CLogS | -2.806 |
| H Acceptors | 5 |
| TotalSurfaceArea | 223.36 |
| Relative PSA | 0.27162 |
| PolarSurfaceArea | 75.15 |
| Druglikeness | 3.9768 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine; limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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