 |
| 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 |
Ligand Type: Small Molecule |