Drug Information| Drug ID: | NPD9504 |
| Drug Name: | Tegafur |
| Molecular Formula: | C8H9FN2O3 |
| Canonical SMILES: | Oc1nc(=O)n(cc1F)C1CCCO1 |
| Standard InCHI: | InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13) |
| Standard InCHIKey: | WFWLQNSHRPWKFK-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD9504Similarity 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 |
|---|---|---|
| Intermediate Similarity | 0.7179 | NPC106780 |
| Intermediate Similarity | 0.7089 | NPC71339 |
| Intermediate Similarity | 0.7089 | NPC112842 |
| Remote Similarity | 0.6914 | NPC43246 |
| Remote Similarity | 0.6914 | NPC89051 |
| Remote Similarity | 0.6829 | NPC163352 |
| Remote Similarity | 0.6829 | NPC210456 |
| Remote Similarity | 0.6667 | NPC171116 |
| Remote Similarity | 0.6588 | NPC324390 |
| Remote Similarity | 0.6512 | NPC327344 |
| Remote Similarity | 0.6512 | NPC320249 |
| Remote Similarity | 0.6512 | NPC322594 |
| Remote Similarity | 0.6364 | NPC324516 |
| Remote Similarity | 0.6364 | NPC318166 |
| Remote Similarity | 0.6364 | NPC36985 |
| Remote Similarity | 0.6364 | NPC17892 |
| Remote Similarity | 0.6292 | NPC317639 |
| Remote Similarity | 0.6292 | NPC73765 |
| Remote Similarity | 0.6292 | NPC283698 |
| Remote Similarity | 0.6279 | NPC315063 |
| Remote Similarity | 0.6 | NPC329077 |
| Remote Similarity | 0.5926 | NPC325902 |
| Remote Similarity | 0.5657 | NPC329277 |
| TTD | DIB003545; DIB002208 |
| DrugBank | DB09256 |
| ChEMBL | CHEMBL20883 |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | D01244 |
| PubChem CID | |
| ChEBI | 32188 |
| CAS Number | 17902-23-7 |
| Molecular Weight | 200.06 |
| ALogP | -1.5739 |
| MLogP | 1.68 |
| XLogP | 0.208 |
| HDA | 5 |
| HBD | 1 |
| Rotatable Bonds | 3 |
| TPSA | 62.13 |
| RO5 Violation | 0 |