LigandBoxID:D01286

NAME:Flutazolam;Coreminal
SMILES: OCCN2C(CN3CCOC3(c4cc(ccc42)[Cl])c1ccccc1F)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01286

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C19H19N2O3FCl 377.823 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 2 -4.3575 -12.9472
LOGS LOGP    
-3.7722 3.6007    

Links to the same SMILES compounds

CHEMBL CHEMBL1697836
ZINC ZINC03830862 ZINC39959893
PUBCHEM 3398 40467178 40467179


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