LigandBoxID:D09618

NAME:Foretinib
SMILES: COc5cc6c(Oc4ccc(cc4F)NC(C3(C(Nc2ccc(cc2)F)=O)CC3)=O)ccnc6cc5OCCCN1CCOCC1

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D09618

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C34H35N4O6F2 633.672 1 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
7 0 -4.2407 -10.1788
LOGS LOGP    
-7.1002 2.2272    

Links to the same SMILES compounds

LIGANDBOX PDB_88Z
ZINC ZINC43204048 ZINC43204048
PUBCHEM 42642645 44470106 46189868 53385812


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