LigandBoxID:HTS1610-00157153-01

SMILES: C1CCC(CNC(c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)=O)NC1

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki1610
NS-000239927-0002

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H21N2O3F6 415.354 1 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 1 -4.2483 -11.6267
LOGS LOGP    
-4.8925 3.1008    

Links to the same SMILES compounds

LIGANDBOX C07001 D00638 D07962 HTS1610-00157152
CHEMBL CHEMBL1200822 CHEMBL251457 CHEMBL398673 CHEMBL652
ZINC ZINC00896543 ZINC03830842
PUBCHEM 11705938 17782083 21447164 23200778 28125477
3355 3356 40467171 41022 46864232 6603850
6604414


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