Drug Information| Drug ID: | NPD866 |
| Drug Name: | |
| Molecular Formula: | C12H20N4O2 |
| Canonical SMILES: | O=C(N1CCCCC1)/N=N/C(=O)N1CCCCC1 |
| Standard InCHI: | InChI=1S/C12H20N4O2/c17-11(15-7-3-1-4-8-15)13-14-12(18)16-9-5-2-6-10-16/h1-10H2/b14-13+ |
| Standard InCHIKey: | OQJBFFCUFALWQL-BUHFOSPRSA-N |
| Max Developmental Stage: | Clinical (unspecified phase) |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD866Similarity 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 | 0.6429 | NPC538609 |
| Remote Similarity | 0.5862 | NPC80572 |
| Remote Similarity | 0.5862 | NPC494538 |
| Remote Similarity | 0.5714 | NPC121549 |
| Remote Similarity | 0.5667 | NPC31090 |
| Remote Similarity | 0.5667 | NPC252684 |
| Remote Similarity | 0.5667 | NPC205490 |
| Remote Similarity | 0.5667 | NPC206660 |
| Remote Similarity | 0.5667 | NPC509754 |
| Remote Similarity | 0.5667 | NPC517857 |
| Remote Similarity | 0.5667 | NPC546500 |
| Remote Similarity | 0.5667 | NPC580979 |
| Remote Similarity | 0.5333 | NPC601822 |
| Remote Similarity | 0.5333 | NPC565477 |
| Remote Similarity | 0.5312 | NPC42477 |
| Remote Similarity | 0.5312 | NPC492186 |
| Remote Similarity | 0.5161 | NPC133923 |
| Remote Similarity | 0.5161 | NPC523764 |