LigandBoxID:D03490

NAME:Cicloprolol hydrochloride
SMILES: CC(NCC(COc2ccc(cc2)OCCOCC1CC1)O)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D03490

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C18H30NO4 324.441 1 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 1 -4.0184 -10.9276
LOGS LOGP    
-2.6826 2.2591    

Links to the same SMILES compounds

CHEMBL CHEMBL255015 CHEMBL399938
PUBCHEM 14550295 146294 167446 9927232


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