LigandBoxID:HTS1610-05405844-01

SMILES: Oc2cc(C4CCCCN4Cc3ccc(c(c3)F)F)nc(c1ccncc1)n2

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki1610
NS-018324671-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H21N4OF2 383.422 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 2 -4.0602 -12.0241
LOGS LOGP    
-3.9473 4.2567    

Links to the same SMILES compounds

LIGANDBOX HTS1610-05405843

Links to the another version LigandBox compounds (same SMILES)

201710 HTS1710-03753025

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