LigandBoxID:D04197

NAME:Floxuridine;FUDR
SMILES: OCC1C(CC(N2C=C(C(NC2=O)=O)F)O1)O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D04197

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C9H11N2O5F 246.194 0 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
5 3 -0.5371 -9.9260
LOGS LOGP    
-1.9779 -0.1459    

Links to the same SMILES compounds

LIGANDBOX C11736 HTS1610-00124822 HTS1610-00124823 HTS1610-00215848 HTS1610-00215849
HTS1610-00290400 HTS1610-00290401 KSH2016-00020807
CHEMBL CHEMBL288486 CHEMBL6628 CHEMBL917
ZINC ZINC00001457 ZINC00388678 ZINC00489135 ZINC03813010 ZINC03830846
ZINC03977743 ZINC03977744 ZINC04045293
PUBCHEM 10966793 11342548 13071731 3363 43834572
450214 450764 467504 46781591 5702211 57196464
57517137 5790 59958639 643968 6540831 667486
7083563 853012 907229


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