LigandBoxID:HTS2204-00328509-01

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

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

Namiki2204
NS-000770703-0000

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 -4.0662 -12.8388
mLOGS mLOGD mLOGPA  
-1.718 1.275 -4.000  

Links to the same SMILES compounds

LIGANDBOX KSH2210-00096502
CHEMBL CHEMBL3484662
PUBCHEM 17466060 28633848 28633850

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