|
Ligand Download |
||
 | ||
| Ligand Name: 4-{bis[4-(dimethylamino)phenyl]methyl}phenol | ||
| HET ID: 1OM | PubChem: 221110 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: Oc1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C | ||
| Standard InChI: InChI=1S/C23H26N2O/c1-24(2)20-11-5-17(6-12-20)23(19-9-15-22(26)16-10-19)18-7-13-21(14-8-18)25(3)4/h5-16,23,26H,1-4H3 | ||
| Molecular Formula: C23H26N2O | Mol. Weight: 346.46533 | Heavy Atoms: 26 |
| Charge: 0 | Is Chiral: False | logP: 4.7044 |
| HBD: 1 | HBA: 3 | TPSA: 26.71 |
| #Bonds: 28 | #Rotatable Bonds: 5 | Shape Complexity: 0.2173913 |
| Stereocomplexity: 0.0 | ||