 |
| 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 |
Ligand Type: Small Molecule |