 |
| Ligand Name:
(2S)-3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium |
| HET ID: DCK |
PubChem:
160907
|
| DrugBank: - |
ChEMBL: CHEMBL1738789 |
| Canonical SMILES: O[C@H](C[N+](C)(C)C)CC(=O)O |
| Standard InChI: InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1/t6-/m0/s1 |
| Molecular Formula: C7H16NO3+ |
Mol. Weight: 162.20683 |
Heavy Atoms: 11 |
| Charge: 1 |
Is Chiral: True |
logP: -0.4718 |
| HBD: 2 |
HBA: 3 |
TPSA: 57.53 |
| #Bonds: 11 |
#Rotatable Bonds: 4 |
Shape Complexity: 0.85714287 |
| Stereocomplexity: 0.14285715 |
Ligand Type: Small Molecule |