LigandBoxID:PDB_0AK

NAME:0AK;(2S)-2-amino-4-(2-chloroethoxy)-4-oxobutanoic acid
SMILES: [Cl]CCOC(CC(C(=O)O)N)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

PDB_LIGAND
0AK(PDBeCHEM) 0AK(ChemComp)

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C6H10NO4Cl 195.602 0 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 1 -0.1927 -9.0834
LOGS LOGP    
0.1355 -2.5924    

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