 |
| Ligand Name:
(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium) |
| HET ID: HC6 |
PubChem:
25023712
|
| DrugBank: - |
ChEMBL: CHEMBL1229238 |
| Canonical SMILES: O[C@]1(OCC[N+](C1)(C)C)c1ccc(cc1)c1ccc(cc1)[C@]1(O)OCC[N+](C1)(C)C |
| Standard InChI: InChI=1S/C24H34N2O4/c1-25(2)13-15-29-23(27,17-25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(28)18-26(3,4)14-16-30-24/h5-12,27-28H,13-18H2,1-4H3/q+2/t23-,24-/m1/s1 |
| Molecular Formula: C24H34N2O4++ |
Mol. Weight: 414.53775 |
Heavy Atoms: 30 |
| Charge: 2 |
Is Chiral: True |
logP: 1.7746 |
| HBD: 2 |
HBA: 4 |
TPSA: 58.92 |
| #Bonds: 33 |
#Rotatable Bonds: 3 |
Shape Complexity: 0.5 |
| Stereocomplexity: 0.083333336 |
Ligand Type: Small Molecule |