 |
| Ligand Name:
(2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium |
| HET ID: HC7 |
PubChem:
25113187
|
| DrugBank: - |
ChEMBL: CHEMBL1233251 |
| Canonical SMILES: O=C(c1ccc(cc1)c1ccc(cc1)[C@]1(O)OCC[N+](C1)(C)C)C[N+](CCOP(=O)(O)O)(C)C |
| Standard InChI: InChI=1S/C24H33N2O7P/c1-25(2,14-16-33-34(29,30)31)17-23(27)21-7-5-19(6-8-21)20-9-11-22(12-10-20)24(28)18-26(3,4)13-15-32-24/h5-12,28H,13-18H2,1-4H3/p+2/t24-/m1/s1 |
| Molecular Formula: C24H35N2O7P++ |
Mol. Weight: 494.51767 |
Heavy Atoms: 34 |
| Charge: 2 |
Is Chiral: True |
logP: 1.9325 |
| HBD: 3 |
HBA: 7 |
TPSA: 123.1 |
| #Bonds: 36 |
#Rotatable Bonds: 9 |
Shape Complexity: 0.45833334 |
| Stereocomplexity: 0.041666668 |
Ligand Type: Small Molecule |