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Ligand Download |
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| Ligand Name: DEXTROFLOXACINE | ||
| HET ID: XED | PubChem: 452723, 6956329 | |
| DrugBank: DB03034 | ChEMBL: CHEMBL420937 | |
| Canonical SMILES: CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O | ||
| Standard InChI: InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25) | ||
| Molecular Formula: C18H20FN3O4 | Mol. Weight: 361.3675 | Heavy Atoms: 26 |
| Charge: 0 | Is Chiral: True | logP: 1.5469 |
| HBD: 1 | HBA: 7 | TPSA: 75.01 |
| #Bonds: 29 | #Rotatable Bonds: 2 | Shape Complexity: 0.44444445 |
| Stereocomplexity: 0.055555556 | ||