Drug ID:   | NPD9533 |
Drug Name:   | Fialuridine |
Molecular Formula:   | C9H10FIN2O5 |
Canonical SMILES:   | OC[C@H]1O[C@H]([C@H]([C@@H]1O)F)n1cc(I)c(nc1=O)O |
Standard InCHI:   | InChI=1S/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8-/m1/s1 |
Standard InCHIKey:   | IPVFGAYTKQKGBM-BYPJNBLXSA-N |
Max Developmental Stage:   | Phase 2 |
Max Developmental Stage Source:   | ChEMBL |
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.
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 | 0.8889 | NPC106780 |
High Similarity | 0.878 | NPC112842 |
High Similarity | 0.878 | NPC71339 |
High Similarity | 0.8571 | NPC89051 |
High Similarity | 0.8571 | NPC43246 |
Intermediate Similarity | 0.8471 | NPC163352 |
Intermediate Similarity | 0.8471 | NPC210456 |
Intermediate Similarity | 0.8276 | NPC171116 |
Intermediate Similarity | 0.8182 | NPC324390 |
Intermediate Similarity | 0.809 | NPC327344 |
Intermediate Similarity | 0.809 | NPC320249 |
Intermediate Similarity | 0.809 | NPC322594 |
Intermediate Similarity | 0.7912 | NPC36985 |
Intermediate Similarity | 0.7912 | NPC17892 |
Intermediate Similarity | 0.7912 | NPC318166 |
Intermediate Similarity | 0.7912 | NPC324516 |
Intermediate Similarity | 0.7865 | NPC315063 |
Intermediate Similarity | 0.7826 | NPC283698 |
Intermediate Similarity | 0.7826 | NPC317639 |
Intermediate Similarity | 0.7826 | NPC73765 |
Intermediate Similarity | 0.7711 | NPC329077 |
Intermediate Similarity | 0.7619 | NPC325902 |
Intermediate Similarity | 0.7111 | NPC229249 |
Intermediate Similarity | 0.7079 | NPC319753 |
Intermediate Similarity | 0.7059 | NPC329277 |
Intermediate Similarity | 0.7033 | NPC325723 |
Remote Similarity | 0.6923 | NPC155087 |
Remote Similarity | 0.6923 | NPC149843 |
Remote Similarity | 0.6882 | NPC190334 |
Remote Similarity | 0.6882 | NPC62927 |
Remote Similarity | 0.6809 | NPC328806 |
Remote Similarity | 0.6552 | NPC315806 |
Remote Similarity | 0.6465 | NPC329384 |
Remote Similarity | 0.64 | NPC226769 |
Remote Similarity | 0.64 | NPC280946 |
Remote Similarity | 0.64 | NPC6166 |
Remote Similarity | 0.6337 | NPC90240 |
Remote Similarity | 0.6337 | NPC120887 |
Remote Similarity | 0.6275 | NPC328779 |
Remote Similarity | 0.6154 | NPC328914 |
Remote Similarity | 0.6071 | NPC478024 |
Remote Similarity | 0.6061 | NPC109188 |
Remote Similarity | 0.605 | NPC284651 |
Remote Similarity | 0.6 | NPC315058 |
Remote Similarity | 0.5966 | NPC325750 |
Remote Similarity | 0.5854 | NPC313962 |
TTD   | DIB007530 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 371.96 |
ALogP   | -1.2173 |
MLogP   | 1.46 |
XLogP   | -0.014 |
HDA   | 7 |
HBD   | 3 |
Rotatable Bonds   | 7 |
TPSA   | 102.59 |
RO5 Violation   | 0 |