LigandBoxID:D08220

SMILES: COc1ccc(c(C(CNC(CN)=O)O)c1)OC

2D 3D

select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D08220

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C12H19N2O4 255.294 1 5
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 1 -4.2624 -11.2798
LOGS LOGP    
-1.4518 0.3066    

Links to the same SMILES compounds

LIGANDBOX C07890 D01307
CHEMBL CHEMBL1200461 CHEMBL1201212 CHEMBL255026 CHEMBL255027
ZINC ZINC00000507 ZINC00403079
PUBCHEM 11426313 13589226 18340 23238195 25137866
25271698 41097904 4195 45114129 45359028 45359029
6604312


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