 |
| Ligand Name:
(S)-N-(cyclopropylmethyl)-N~2~-methyl-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]alaninamide |
| HET ID: EC7 |
PubChem:
138753181
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CC(C(=O)N(CC1CC1)CC(C)(C)C2CCN(CC2)C)NC |
| Standard InChI: InChI=1S/C18H35N3O/c1-14(19-4)17(22)21(12-15-6-7-15)13-18(2,3)16-8-10-20(5)11-9-16/h14-16,19H,6-13H2,1-5H3 |
| Molecular Formula: C18H35N3O |
Mol. Weight: 309.49 |
Heavy Atoms: 22 |
| Charge: 0 |
Is Chiral: True |
logP: 2.5297 |
| HBD: 1 |
HBA: 4 |
TPSA: 35.58 |
| #Bonds: 23 |
#Rotatable Bonds: 8 |
Shape Complexity: 0.9444444 |
| Stereocomplexity: 0.055555556 |
Ligand Type: Small Molecule |