LigandBoxID:KSH2210-00096502-01

SMILES: CC1CCCN(Cc2ccc(cc2)C(=O)N)C1

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

Kishida2210
KS122-0127940

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C14H20N2O 232.327 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 1 -4.0384 -12.8208
mLOGS mLOGD mLOGPA  
-2.344 1.469 -4.182  

Links to the same SMILES compounds

LIGANDBOX HTS2204-00328509
CHEMBL CHEMBL3484662
PUBCHEM 17466060 28633848 28633850

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