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| Property | Value | Unit | Source |
|---|---|---|---|
| Formal charge | 0 | — | pubchem |
| Molecular formula | C11H17N5O2S | — | pubchem |
| Molecular weight | 283.35 | g/mol | pubchem |
| Property | Value | Unit | Source |
|---|---|---|---|
| XLogP | -0.2 | — | pubchem |
| MolLogP (Crippen) | -0.588 | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| H-bond acceptors | 5 | — | pubchem |
| H-bond donors | 1 | — | pubchem |
| Rotatable bonds | 4 | — | pubchem |
| Polar surface area (TPSA) | 110 | Ų | pubchem |
| Lipinski violations | 0 | — | rdkit |
| Passes Lipinski rule | Sí | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| QED (drug-likeness) | 0.598 | — | rdkit |
| Passes Veber rule | Sí | — | rdkit |
| Fraction Csp³ | 0.545 | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| Complexity | 380 | — | pubchem |
| Heavy atom count | 19 | — | pubchem |
| Molar refractivity | 75.59 | cm³/mol | rdkit |
| Surface area (Labute ASA) | 113.6 | Ų | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| Aromatic rings | 2 | — | rdkit |
| Aliphatic rings | 0 | — | rdkit |
| Total rings | 2 | — | rdkit |
| Heteroatoms | 8 | — | rdkit |
| Amide bonds | 0 | — | rdkit |
| Stereocenters | 0 | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| Rdkit class | Amina | — | rdkit |
The structural core without substituents — useful for comparing chemical families and structure-activity relationships.