Ligand |
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| Ligand Name: 6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione | ||
| HET ID: M4Q | PubChem: 146018696 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O=C1CC(=NC(=O)N1)CN(Cc1ccsc1)C | ||
| Standard InChI: InChI=1S/C11H13N3O2S/c1-14(5-8-2-3-17-7-8)6-9-4-10(15)13-11(16)12-9/h2-3,7H,4-6H2,1H3,(H,13,15,16) | ||
| Molecular Formula: C11H13N3O2S | Mol. Weight: 251.30482 | Heavy Atoms: 17 |
| Charge: 0 | Is Chiral: False | logP: 1.0252 |
| HBD: 1 | HBA: 6 | TPSA: 90.01 |
| #Bonds: 18 | #Rotatable Bonds: 4 | Shape Complexity: 0.36363637 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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