Drug Information

Drug ID:  NPD9556
Drug Name:  Floxuridine
Molecular Formula:  C9H11FN2O5
Canonical SMILES:  OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(nc1=O)O
Standard InCHI:  InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
Standard InCHIKey:  ODKNJVUHOIMIIZ-RRKCRQDMSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD9556

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 0.9231 NPC106780
High Similarity 0.9114 NPC112842
High Similarity 0.9114 NPC71339
High Similarity 0.8889 NPC43246
High Similarity 0.8889 NPC89051
High Similarity 0.878 NPC163352
High Similarity 0.878 NPC210456
High Similarity 0.8571 NPC171116
Intermediate Similarity 0.8471 NPC324390
Intermediate Similarity 0.8372 NPC322594
Intermediate Similarity 0.8372 NPC320249
Intermediate Similarity 0.8372 NPC327344
Intermediate Similarity 0.8182 NPC318166
Intermediate Similarity 0.8182 NPC324516
Intermediate Similarity 0.8182 NPC36985
Intermediate Similarity 0.8182 NPC17892
Intermediate Similarity 0.814 NPC315063
Intermediate Similarity 0.809 NPC317639
Intermediate Similarity 0.809 NPC73765
Intermediate Similarity 0.809 NPC283698
Intermediate Similarity 0.8 NPC329077
Intermediate Similarity 0.7901 NPC325902
Intermediate Similarity 0.7356 NPC229249
Intermediate Similarity 0.7326 NPC319753
Intermediate Similarity 0.7273 NPC325723
Intermediate Similarity 0.7273 NPC329277
Intermediate Similarity 0.7129 NPC149843
Intermediate Similarity 0.7129 NPC155087
Intermediate Similarity 0.7111 NPC190334
Intermediate Similarity 0.7111 NPC62927
Intermediate Similarity 0.7033 NPC328806
Remote Similarity 0.6786 NPC315806
Remote Similarity 0.6667 NPC329384
Remote Similarity 0.6598 NPC226769
Remote Similarity 0.6598 NPC6166
Remote Similarity 0.6598 NPC280946
Remote Similarity 0.6531 NPC90240
Remote Similarity 0.6531 NPC120887
Remote Similarity 0.6465 NPC328779
Remote Similarity 0.6337 NPC328914
Remote Similarity 0.625 NPC109188
Remote Similarity 0.6239 NPC478024
Remote Similarity 0.6207 NPC284651
Remote Similarity 0.6154 NPC315058
Remote Similarity 0.6121 NPC325750
Remote Similarity 0.6 NPC313962
Remote Similarity 0.575 NPC293551
Remote Similarity 0.5714 NPC470782
Remote Similarity 0.5667 NPC126186

Drug Structure

External Identifiers

TTD   DNAP001650; DAP001245
DrugBank   DB00322
ChEMBL   CHEMBL917
IUPHAR/BPS   4801
PharmaGKB   PA449652
KEGG Drug   D04197
PubChem CID   5790
ChEBI   60761
CAS Number  50-91-9

Drug Properties

Molecular Weight  246.07
ALogP  -2.3073
MLogP  1.57
XLogP  -1.065
HDA  7
HBD  3
Rotatable Bonds  6
TPSA  102.59
RO5 Violation  0