LigandBoxID:HTS1710-00144169-01

SMILES: COc2ccc(cc2N(=O)O)CNc1ccc(cc1)[Br]

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki1710
NS-000327586-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C14H13N2O3Br 337.173 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -1.0921 -8.8615
LOGS LOGP    
-5.869 4.212    

Links to the same SMILES compounds

PUBCHEM 727033

Links to the another version LigandBox compounds (same SMILES)

201610_2 HTS1610-00201804

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