LigandBoxID:HTS1610-04628903-01

SMILES: O=C(NC(c1ccc3occoc3c1)C)COc2c(cc(cc2[Br])C)[Br]

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki1610
NS-016869493-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C19H19NO4Br2 485.172 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 1 -0.4471 -9.0063
LOGS LOGP    
-5.8080 3.1337    

Links to the same SMILES compounds

LIGANDBOX HTS1610-04628902
ZINC ZINC13012684 ZINC13012685
PUBCHEM 25671276 25671277 45837005

Links to the another version LigandBox compounds (same SMILES)

201710 HTS1710-03200434

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