LigandBoxID:KSH2210-02044119-01

SMILES: OC(C(c2cc(cc(c2)C)C)N1CCC(CN3CCCC3=O)CC1)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

Kishida2210
KS131-3718563

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C20H28N2O3 344.455 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 1 -0.3489 -8.3717
mLOGS mLOGD mLOGPA  
-1.835 0.330 -4.100  

Links to the same SMILES compounds

PUBCHEM 72878487 97196011 97196012

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