LigandBoxID:KSH2210-02302345-01

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

Kishida2210
KS151-4679820

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 -0.5401 -8.5970
mLOGS mLOGD mLOGPA  
-3.455 2.042 -5.545  

Links to the same SMILES compounds

LIGANDBOX HTS2204-06383972
PUBCHEM 53201883

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