Ligand |
||
 | ||
| Ligand Name: Hosieine | ||
| HET ID: LDQ | PubChem: 154573613 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: C[C@@H]1C[C@@H]2[C@@H]3[C@H]1[C@H](CN2C)c1n(C3)c(=O)ccc1 | ||
| Standard InChI: InChI=1S/C15H20N2O/c1-9-6-13-11-8-17-12(4-3-5-14(17)18)10(15(9)11)7-16(13)2/h3-5,9-11,13,15H,6-8H2,1-2H3/t9-,10-,11-,13-,15-/m1/s1 | ||
| Molecular Formula: C15H20N2O | Mol. Weight: 244.3321 | Heavy Atoms: 18 |
| Charge: 0 | Is Chiral: True | logP: 1.4696 |
| HBD: 0 | HBA: 3 | TPSA: 25.24 |
| #Bonds: 26 | #Rotatable Bonds: 0 | Shape Complexity: 0.6666667 |
| Stereocomplexity: 0.33333334 | Ligand Type: Small Molecule | |
Binding Affinity |
||
- |