Drug Information| Drug ID: | NPD8849 |
| Drug Name: | |
| Molecular Formula: | C5H8F3NO2S |
| Canonical SMILES: | OC(=O)C(CCSC(F)(F)F)N |
| Standard InCHI: | "InChI=1S/C5H8F3NO2S/c6-5(7,8)12-2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)" |
| Standard InCHIKey: | YLJLTSVBCXYTQK-UHFFFAOYSA-N |
| Max Developmental Stage: | Clinical (unspecified phase) |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD8849Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity: Tc>=0.85; Intermediate Similarity: 0.7 <= Tc < 0.85; Remote Similarity: 0.5 <= Tc < 0.7
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| Remote Similarity | 0.6552 | NPC170739 |
| Remote Similarity | 0.6552 | NPC152451 |
| Remote Similarity | 0.6552 | NPC193989 |
| Remote Similarity | 0.6552 | NPC611828 |
| Remote Similarity | 0.625 | NPC197173 |
| Remote Similarity | 0.625 | NPC490011 |
| Remote Similarity | 0.6129 | NPC602488 |
| Remote Similarity | 0.5938 | NPC86555 |
| Remote Similarity | 0.5938 | NPC491300 |
| Remote Similarity | 0.5758 | NPC262150 |
| Remote Similarity | 0.5758 | NPC573099 |
| Remote Similarity | 0.5263 | NPC322242 |