Drug Information| Drug ID: | NPD289 |
| Drug Name: | |
| Molecular Formula: | C10H14O2 |
| Canonical SMILES: | Oc1ccc(c(c1)C(C)(C)C)O |
| Standard InCHI: | "InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3" |
| Standard InCHIKey: | BGNXCDMCOKJUMV-UHFFFAOYSA-N |
| Max Developmental Stage: | Clinical (unspecified phase) |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD289Similarity 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 |
|---|---|---|
| High Similarity | 1.0 | NPC180862 |
| High Similarity | 1.0 | NPC604232 |
| Remote Similarity | 0.6087 | NPC29373 |
| Remote Similarity | 0.5833 | NPC269212 |
| Remote Similarity | 0.5652 | NPC533632 |
| Remote Similarity | 0.5652 | NPC602206 |
| Remote Similarity | 0.5556 | NPC240163 |
| Remote Similarity | 0.5385 | NPC55903 |
| Remote Similarity | 0.5385 | NPC88420 |
| Remote Similarity | 0.5185 | NPC163154 |
| Remote Similarity | 0.5161 | NPC473524 |
| Remote Similarity | 0.5161 | NPC496649 |
| Remote Similarity | 0.5161 | NPC544885 |
| Remote Similarity | 0.5161 | NPC608824 |