LigandBoxID:D08552

NAME:Sunitinib
SMILES: CCN(CCNC(c1c(nc(c1C)C=C3C(Nc2ccc(cc32)F)=O)C)=O)CC

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D08552

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C22H28N4O2F 399.490 1 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 0 -4.1623 -10.3316
LOGS LOGP    
-5.5537 2.8066    

Links to the same SMILES compounds

LIGANDBOX D06402 HTS1610-00123010 KSH2016-03834077
ZINC ZINC03964325 ZINC13673696


[Back to top page]