Drug Information| Drug ID: | NPD7356 |
| Drug Name: | Nedaplatin |
| Molecular Formula: | C2H3O3.2H3N.Pt |
| Canonical SMILES: | [O-]CC(=O)[O-].N.N.[Pt+2] |
| Standard InCHI: | "InChI=1S/C2H3O3.2H3N.Pt/c3-1-2(4)5;;;/h1H2,(H,4,5);2*1H3;/q-1;;;+2/p-1" |
| Standard InCHIKey: | GYAVMUDJCHAASE-UHFFFAOYSA-M |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | DrugBank |
Structural Similarity Between NPASS Natural Products and NPD7356Similarity 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 | 0.5455 | NPC68874 |
| Remote Similarity | 0.5455 | NPC327795 |
| Remote Similarity | 0.5385 | NPC165123 |
| Remote Similarity | 0.5385 | NPC213481 |
| Remote Similarity | 0.5385 | NPC313620 |