Drug Information| Drug ID: | NPD675 |
| Drug Name: | "ruthenium-based complexes (cancer), MMI" |
| Molecular Formula: | C12H10 |
| Canonical SMILES: | c1ccc(cc1)c1ccccc1 |
| Standard InCHI: | InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H |
| Standard InCHIKey: | ZUOUZKKEUPVFJK-UHFFFAOYSA-N |
| Max Developmental Stage: | Discontinued |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD675Similarity 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 | NPC113670 |
| High Similarity | 1.0 | NPC600406 |
| High Similarity | 0.9091 | NPC264470 |
| Remote Similarity | 0.5556 | NPC267443 |