Ligand |
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| Ligand Name: 6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{H}-pyrimidine-2,4-dione | ||
| HET ID: P0B | PubChem: 45794315 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CN(Cc1c(F)cccc1Cl)Cc1cc(=O)[nH]c(=O)[nH]1 | ||
| Standard InChI: InChI=1S/C13H13ClFN3O2/c1-18(6-8-5-12(19)17-13(20)16-8)7-9-10(14)3-2-4-11(9)15/h2-5H,6-7H2,1H3,(H2,16,17,19,20) | ||
| Molecular Formula: C13H13ClFN3O2 | Mol. Weight: 297.71262 | Heavy Atoms: 20 |
| Charge: 0 | Is Chiral: False | logP: 1.4877 |
| HBD: 2 | HBA: 3 | TPSA: 68.96 |
| #Bonds: 23 | #Rotatable Bonds: 4 | Shape Complexity: 0.23076923 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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