 |
| Ligand Name:
1-(5-phenylpyridin-3-yl)-1,4-diazepane |
| HET ID: 09Q |
PubChem:
10777277
|
| DrugBank: - |
ChEMBL: CHEMBL303889 |
| Canonical SMILES: N1CCCN(CC1)c1cncc(c1)c1ccccc1 |
| Standard InChI: InChI=1S/C16H19N3/c1-2-5-14(6-3-1)15-11-16(13-18-12-15)19-9-4-7-17-8-10-19/h1-3,5-6,11-13,17H,4,7-10H2 |
| Molecular Formula: C16H19N3 |
Mol. Weight: 253.34216 |
Heavy Atoms: 19 |
| Charge: 0 |
Is Chiral: False |
logP: 2.9421 |
| HBD: 1 |
HBA: 3 |
TPSA: 28.16 |
| #Bonds: 21 |
#Rotatable Bonds: 2 |
Shape Complexity: 0.3125 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |