LigandBoxID:HTS1710-05419679-01

SMILES: O=C1CCC(C(N1)(C)C)NC(C3(c2ccccn2)CC3)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

Namiki1710
NS-022309747-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C16H21N3O2 287.363 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 1 -0.2883 -9.8964
LOGS LOGP    
-3.639 2.466    

Links to the same SMILES compounds

PUBCHEM 132316849

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