LigandBoxID:HTS2204-01909956-01

SMILES: ON(c2ccc(cc2)NN=Cc3ccc(c(c3)N(=O)O)OC(c1ccccc1)=O)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki2204
NS-013173987-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C20H14N4O6 406.354 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
7 0 -1.5667 -9.2510
mLOGS mLOGD mLOGPA  
-3.373 0.654 -6.034  

Links to the same SMILES compounds

LIGANDBOX KSH2210-01075003
PUBCHEM 3409872 5818130 9596508

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