LigandBoxID:PDB_CGN

NAME:CGN;5-OXO-PYRROLIDINE-2-CARBALDEHYDE
SMILES: O=CC1CCC(N1)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

PDB_LIGAND
CGN(PDBeCHEM) CGN(ChemComp)

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C5H7NO2 113.116 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 1 0.0717 -10.2452
LOGS LOGP    
0.1898 -0.7951    

Links to the same SMILES compounds

PUBCHEM 130336 21085979 3033056 57463960


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