Drug Information| Drug ID: | NPD8560 |
| Drug Name: | |
| Molecular Formula: | C4H12N2 |
| Canonical SMILES: | NCCCCN |
| Standard InCHI: | InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2 |
| Standard InCHIKey: | KIDHWZJUCRJVML-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 3 |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD8560Similarity 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 | NPC309330 |
| High Similarity | 1.0 | NPC611782 |
| High Similarity | 0.8889 | NPC28081 |
| Intermediate Similarity | 0.7 | NPC27869 |
| Remote Similarity | 0.6667 | NPC309715 |
| Remote Similarity | 0.6364 | NPC306277 |
| Remote Similarity | 0.5833 | NPC152489 |
| Remote Similarity | 0.5833 | NPC265607 |
| Remote Similarity | 0.5714 | NPC201882 |
| Remote Similarity | 0.5714 | NPC152949 |