LigandBoxID:KSH2016-03143970-01

SMILES: COCCN(C(c3ccccc3F)=O)Cc4c(c1ccccc1)noc4N2CCN(CC2)C

2D 3D

SDF file MOL2 file

Compound ID of the source

Kishida2016
KS131-3526859

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C25H30N4O3F 453.538 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 -4.3872 -11.1915
LOGS LOGP    
-4.6634 4.7568    

Links to the same SMILES compounds

PUBCHEM 46028207

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