LigandBoxID:HTS2204-05731711-01

SMILES: CCc2(oc3ccc(cc3o2)NC(CN1CCN(C(C1)=O)C)=O)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

Namiki2204
NS-023407696-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H23N3O4 333.388 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 1 -4.6819 -10.9086
mLOGS mLOGD mLOGPA  
-2.165 1.784 -4.289  

Links to the same SMILES compounds

PUBCHEM 136534655

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