Ligand |
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| Ligand Name: 5,6,7,8-tetrahydro-4~{a}~{H}-quinazoline-2,4-dione | ||
| HET ID: M1Q | PubChem: 146018692 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O=C1NC(=O)N=C2C1CCCC2 | ||
| Standard InChI: InChI=1S/C8H10N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h5H,1-4H2,(H,10,11,12) | ||
| Molecular Formula: C8H10N2O2 | Mol. Weight: 166.1772 | Heavy Atoms: 12 |
| Charge: 0 | Is Chiral: True | logP: 0.6318 |
| HBD: 1 | HBA: 4 | TPSA: 58.53 |
| #Bonds: 13 | #Rotatable Bonds: 0 | Shape Complexity: 0.625 |
| Stereocomplexity: 0.125 | Ligand Type: Small Molecule | |
Binding Affinity |
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