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Ligand Download |
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| Ligand Name: 6-[[methyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione | ||
| HET ID: M3Z | PubChem: 146018694 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O=C1CC(=NC(=O)N1)CN(Cc1ccccc1)C | ||
| Standard InChI: InChI=1S/C13H15N3O2/c1-16(8-10-5-3-2-4-6-10)9-11-7-12(17)15-13(18)14-11/h2-6H,7-9H2,1H3,(H,15,17,18) | ||
| Molecular Formula: C13H15N3O2 | Mol. Weight: 245.2771 | Heavy Atoms: 18 |
| Charge: 0 | Is Chiral: False | logP: 0.9637 |
| HBD: 1 | HBA: 5 | TPSA: 61.77 |
| #Bonds: 19 | #Rotatable Bonds: 4 | Shape Complexity: 0.30769232 |
| Stereocomplexity: 0.0 | ||