(2E)-3-benzyl-2-morpholin-4-ylimino-1,3-thiazolidin-4-one
Formula:C14H17N3O2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(2E)-3-benzyl-2-morpholin-4-ylimino-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (2E)-3-benzyl-2-morpholin-4-ylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C14H17N3O2S |
| Smiles | O=C(CS1)N(Cc2ccccc2)/C1=N\N1CCOCC1 |
| InChI | InChI=1S/C14H17N3O2S/c18-13-11-20-14(15-16-6-8-19-9-7-16)17(13)10-12-4-2-1-3-5-12/h1-5H,6-11H2 |
| InChIK | NZHZJWJTTSZAHN-UHFFFAOYSA-N |
| TotalMolweight | 291.374 |
| Molweight | 291.374 |
| MonoisotopicMass | 291.104147 |
| CLogP | 0.9456 |
| CLogS | -2.171 |
| H Acceptors | 5 |
| TotalSurfaceArea | 217.63 |
| Relative PSA | 0.27175 |
| PolarSurfaceArea | 70.44 |
| Druglikeness | 4.0995 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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