LigandBoxID:D00054

NAME:Inosine;Inotin
SMILES: OCC1OC(N3CNC2C(NC=NC32)=O)C(C1O)O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00054

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C10H12N4O5 268.229 0 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
7 4 -0.6866 -9.2498
LOGS LOGP    
-1.8252 0.0627    

Links to the same SMILES compounds

LIGANDBOX C00294 D01995


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