LigandBoxID:PDB_0SC

SMILES: CC(C2CCN(Cc3ccc5nc(c6c(ccc4nccc64)F)nc(c5n3)N1CCOCC1)CC2)(O)C

2D 3D

SDF file MOL2 file

Compound ID of the source

PDB_LIGAND
0SC(PDBeCHEM) 0SC(ChemComp)

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C28H34N6O2F 505.618 1 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
5 0 -4.0411 -10.5938
LOGS LOGP    
-5.1220 3.4142    

Links to the same SMILES compounds

PUBCHEM 53378051


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