Ligand |
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| Ligand Name: 6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID | ||
| HET ID: DTB | PubChem: 445027 | |
| DrugBank: DB03775 | ChEMBL: CHEMBL1232381 | |
| Canonical SMILES: OC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C | ||
| Standard InChI: InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1 | ||
| Molecular Formula: C10H18N2O3 | Mol. Weight: 214.26152 | Heavy Atoms: 15 |
| Charge: 0 | Is Chiral: True | logP: 1.749 |
| HBD: 3 | HBA: 5 | TPSA: 78.43 |
| #Bonds: 17 | #Rotatable Bonds: 6 | Shape Complexity: 0.8 |
| Stereocomplexity: 0.2 | Ligand Type: Small Molecule | |
Binding Affinity |
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