LigandBoxID:HTS1710-05386576-01

SMILES: COc2cc(c3OC(Cc3c2)C)CN(Cc1ccccn1)CC

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

Namiki1710
NS-022275589-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C19H25N2O2 313.421 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 2 -3.3709 -11.3727
LOGS LOGP    
-5.646 4.628    

Links to the same SMILES compounds

PUBCHEM 132290557

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