 |
| Ligand Name:
ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate |
| HET ID: BOQ |
PubChem:
607286
|
| DrugBank: - |
ChEMBL: CHEMBL1584149 |
| Canonical SMILES: CCOC(=O)c1cc(oc1CN)C(C)(C)C |
| Standard InChI: InChI=1S/C12H19NO3/c1-5-15-11(14)8-6-10(12(2,3)4)16-9(8)7-13/h6H,5,7,13H2,1-4H3 |
| Molecular Formula: C12H19NO3 |
Mol. Weight: 225.28416 |
Heavy Atoms: 16 |
| Charge: 0 |
Is Chiral: False |
logP: 2.9128 |
| HBD: 1 |
HBA: 4 |
TPSA: 65.46 |
| #Bonds: 16 |
#Rotatable Bonds: 5 |
Shape Complexity: 0.5833333 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |