LigandBoxID:HTS2204-06383972-01

SMILES: O=C(CN3C(C=C(N=C3Nc1ccc(c(c1)C)C)C)=O)Nc2ccc(cc2C)F

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki2204
NS-024170209-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C22H23N4O2F 394.450 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -0.5430 -8.6010
mLOGS mLOGD mLOGPA  
-3.773 2.152 -5.578  

Links to the same SMILES compounds

LIGANDBOX KSH2210-02302345
PUBCHEM 53201883

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