LigandBoxID:HTS2204-05544323-01

SMILES: OCCC1CCCN(C(c2cccn2C)=O)CC1

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

Namiki2204
NS-022301254-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C14H22N2O2 250.342 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 1 0.5576 -9.0455
mLOGS mLOGD mLOGPA  
-2.687 2.206 -5.101  

Links to the same SMILES compounds

PUBCHEM 132308706

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