 |
| Ligand Name:
1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE |
| HET ID: PCW |
PubChem:
448653
|
| DrugBank: DB03690 |
ChEMBL: CHEMBL1235187 |
| Canonical SMILES: CCCCCCCC/C=CCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=CCCCCCCCC)CO[P@](=O)(OCC[N+](C)(C)C)O |
| Standard InChI: InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20-,23-21-/t42-/m1/s1 |
| Molecular Formula: C44H85NO8P+ |
Mol. Weight: 787.12134 |
Heavy Atoms: 54 |
| Charge: 1 |
Is Chiral: True |
logP: 12.3562 |
| HBD: 1 |
HBA: 8 |
TPSA: 118.17 |
| #Bonds: 54 |
#Rotatable Bonds: 42 |
Shape Complexity: 0.8636364 |
| Stereocomplexity: 0.045454547 |
Ligand Type: Small Molecule |