LigandBoxID:D03239

SMILES: C#CCNC2CCc1ccc(cc21)OC(N(CC)C)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D03239

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C16H21N2O2 273.356 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 1 -4.1367 -11.7684
LOGS LOGP    
-7.9375 0.9018    

Links to the same SMILES compounds

CHEMBL CHEMBL1788299 CHEMBL255231 CHEMBL51271 CHEMBL544636
ZINC ZINC27623417
PUBCHEM 11055964 11120416 11607225 11625965 16666425
208907 23645314 23645315 52913921 53398672 6918437
6918440 9818098 9818099


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