LigandBoxID:D03264

NAME:Mazaticol hydrochloride hydrate;Mazaticol hydrochloride;Pentona
SMILES: O=C(C(c1sccc1)(c2sccc2)O)OC3CC4CCC(C(N4C)C3)(C)C

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D03264

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H28NO3S2 406.589 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 4 -3.6994 -11.4068
LOGS LOGP    
-4.1368 3.6905    

Links to the same SMILES compounds

LIGANDBOX C12948 D08157
PUBCHEM 10431413 11954326 135004 20055485 20057104
4019 53393384 68667


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