LigandBoxID:D01806

NAME:Oxprenolol hydrochloride;Okuspurecol
SMILES: C=CCOc1ccccc1OCC(CNC(C)C)O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01806

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C15H24NO3 266.361 1 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 1 -4.0564 -11.2716
LOGS LOGP    
-3.1023 2.6216    

Links to the same SMILES compounds

LIGANDBOX D08318
CHEMBL CHEMBL1160733 CHEMBL1200745 CHEMBL1514683 CHEMBL546
ZINC ZINC01542924 ZINC01999544
PUBCHEM 168869 176633 198081 198082 20284511
21120617 22212483 22213568 24848367 36688223 38988179
44147655 4631 46782657 46782658 51371433 53421055
53421056 53446526 54759111 56605657 57376788 71172
94423


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