|
Ligand Download |
||
 | ||
| Ligand Name: 4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one | ||
| HET ID: M5N | PubChem: 146018698 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O=C1N=C2CCCCC2C(=N1)C(C)C | ||
| Standard InChI: InChI=1S/C11H16N2O/c1-7(2)10-8-5-3-4-6-9(8)12-11(14)13-10/h7-8H,3-6H2,1-2H3 | ||
| Molecular Formula: C11H16N2O | Mol. Weight: 192.25754 | Heavy Atoms: 14 |
| Charge: 0 | Is Chiral: True | logP: 1.7194 |
| HBD: 0 | HBA: 3 | TPSA: 41.79 |
| #Bonds: 15 | #Rotatable Bonds: 1 | Shape Complexity: 0.72727275 |
| Stereocomplexity: 0.09090909 | ||