LigandBoxID:KSH2210-02427645-01

SMILES: Fc1ccc(C(N2CCCC2)CNC(C3=CN(C(NC3=O)=O)C)=O)cc1

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

Kishida2210
KS161-5123017

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C18H21N4O3F 360.389 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 1 -4.1818 -12.2959
mLOGS mLOGD mLOGPA  
-3.793 1.676 -4.468  

Links to the same SMILES compounds

PUBCHEM 118773179 125167736 125167743


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