LigandBoxID:D08227

NAME:Mometasone
SMILES: [Cl]CC(C4(C(CC3C2CCC1=CC(C=CC1(C2(C(CC43C)O)[Cl])C)=O)C)O)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D08227

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C22H28O4Cl2 427.368 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 8 -0.6411 -10.3986
LOGS LOGP    
-5.1959 3.2087    

Links to the same SMILES compounds

LIGANDBOX C07816
CHEMBL CHEMBL1201404
ZINC ZINC04097440 ZINC12503162
PUBCHEM 11166231 11388364 11693455 123620 16752683
25098835 25323003 441335 44815855 4659388 54588950
57465138


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