LigandBoxID:D05478

SMILES: CCC2C(OCC2CC1CNCN1C)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D05478

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C11H16N2O2 208.261 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 2 0.7979 -9.5070
LOGS LOGP    
$$$$ -5.4022    

Links to the same SMILES compounds

LIGANDBOX C07474 D00525 D02200 D08376 HTS1410-00102233
HTS1410-02254967 HTS1410-02753012 PDB_9PL


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