 |
| Ligand Name:
(E,2S)-N-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine |
| HET ID: 7LB |
PubChem:
10015868
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CN[C@H](C/C=C/c1cncc(c1)Oc1ccccc1)C |
| Standard InChI: InChI=1S/C17H20N2O/c1-14(18-2)7-6-8-15-11-17(13-19-12-15)20-16-9-4-3-5-10-16/h3-6,8-14,18H,7H2,1-2H3/b8-6+/t14-/m0/s1 |
| Molecular Formula: C17H20N2O |
Mol. Weight: 268.3535 |
Heavy Atoms: 20 |
| Charge: 0 |
Is Chiral: True |
logP: 4.276 |
| HBD: 1 |
HBA: 3 |
TPSA: 34.15 |
| #Bonds: 22 |
#Rotatable Bonds: 6 |
Shape Complexity: 0.23529412 |
| Stereocomplexity: 0.05882353 |
Ligand Type: Small Molecule |