Drug Information

Drug ID:  NPD8566
Drug Name:  5-Fluorouracil
Molecular Formula:  C4H3FN2O2
Canonical SMILES:  Oc1ncc(c(n1)O)F
Standard InCHI:  InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
Standard InCHIKey:  GHASVSINZRGABV-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD8566

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 1.0 NPC75844
High Similarity 0.91 NPC163105
High Similarity 0.8922 NPC27699
High Similarity 0.875 NPC329046
Intermediate Similarity 0.7255 NPC326364
Intermediate Similarity 0.7087 NPC321929
Intermediate Similarity 0.7054 NPC222061
Remote Similarity 0.6789 NPC476128
Remote Similarity 0.6667 NPC248627
Remote Similarity 0.664 NPC248007
Remote Similarity 0.64 NPC139776
Remote Similarity 0.6385 NPC287876
Remote Similarity 0.6308 NPC14330
Remote Similarity 0.6107 NPC321393
Remote Similarity 0.5952 NPC240084
Remote Similarity 0.5846 NPC5707
Remote Similarity 0.5827 NPC68938
Remote Similarity 0.5794 NPC63433
Remote Similarity 0.5726 NPC312187
Remote Similarity 0.5726 NPC4837
Remote Similarity 0.5702 NPC476564
Remote Similarity 0.5662 NPC246193
Remote Similarity 0.5629 NPC52238

Drug Structure

External Identifiers

TTD   DAP000829
DrugBank   DB00544
ChEMBL   CHEMBL185
IUPHAR/BPS   4789
PharmaGKB   PA128406956
KEGG Drug   D00584
PubChem CID   3385
ChEBI   46345
CAS Number  51-21-8

Drug Properties

Molecular Weight  130.02
ALogP  -0.4409
MLogP  1.35
XLogP  -0.503
HDA  2
HBD  2
Rotatable Bonds  3
TPSA  66.24
RO5 Violation  0