LigandBoxID:D00749

NAME:Leflunomide;Arava
SMILES: O=C(c2cnoc2C)Nc1ccc(C(F)(F)F)cc1

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00749

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C12H9N2O2F3 270.210 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -0.8062 -9.8701
LOGS LOGP    
-3.7913 3.4751    

Links to the same SMILES compounds

LIGANDBOX C07905 HTS1610-00158016 KSH2016-00041330
CHEMBL CHEMBL960
ZINC ZINC00004840
PUBCHEM 10869480 11180061 11502781 22560978 3899
44251607 45039652 54698001


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