Drug Information| Drug ID: | NPD173 |
| Drug Name: | |
| Molecular Formula: | C10H11N |
| Canonical SMILES: | N#CCCCc1ccccc1 |
| Standard InCHI: | "InChI=1S/C10H11N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8H2" |
| Standard InCHIKey: | ICMVGKQFVMTRLB-UHFFFAOYSA-N |
| Max Developmental Stage: | Clinical (unspecified phase) |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD173Similarity 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 |
|---|---|---|
| Intermediate Similarity | 0.72 | NPC284386 |
| Remote Similarity | 0.5714 | NPC143545 |
| Remote Similarity | 0.5517 | NPC11099 |
| Remote Similarity | 0.5385 | NPC212114 |
| Remote Similarity | 0.5333 | NPC210849 |
| Remote Similarity | 0.5333 | NPC80097 |
| Remote Similarity | 0.5333 | NPC571216 |
| Remote Similarity | 0.5312 | NPC575206 |
| Remote Similarity | 0.5312 | NPC606008 |
| Remote Similarity | 0.5185 | NPC300208 |
| Remote Similarity | 0.5185 | NPC50266 |
| Remote Similarity | 0.5172 | NPC271437 |
| Remote Similarity | 0.5172 | NPC208302 |