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Ligand Download |
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| Ligand Name: (2~{S})-1-[2-hydroxyethyl-[(2~{S})-2-oxidanylpropyl]amino]propan-2-ol | ||
| HET ID: 962 | PubChem: 6950669 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: OCCN(C[C@@H](O)C)C[C@@H](O)C | ||
| Standard InChI: InChI=1S/C8H19NO3/c1-7(11)5-9(3-4-10)6-8(2)12/h7-8,10-12H,3-6H2,1-2H3/t7-,8-/m0/s1 | ||
| Molecular Formula: C8H19NO3 | Mol. Weight: 177.24136 | Heavy Atoms: 12 |
| Charge: 0 | Is Chiral: True | logP: -0.9577 |
| HBD: 3 | HBA: 4 | TPSA: 63.93 |
| #Bonds: 13 | #Rotatable Bonds: 6 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.25 | ||