Drug Information| Drug ID: | NPD7352 |
| Drug Name: | |
| Molecular Formula: | C2H2O4 |
| Canonical SMILES: | OC(=O)C(=O)O |
| Standard InCHI: | "InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)" |
| Standard InCHIKey: | MUBZPKHOEPUJKR-UHFFFAOYSA-N |
| Max Developmental Stage: | Pre-clinical |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD7352Similarity 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 | NPC301950 |
| High Similarity | 0.875 | NPC150958 |
| Intermediate Similarity | 0.7 | NPC214472 |
| Remote Similarity | 0.625 | NPC300325 |
| Remote Similarity | 0.625 | NPC159900 |
| Remote Similarity | 0.625 | NPC8159 |
| Remote Similarity | 0.625 | NPC606409 |
| Remote Similarity | 0.5556 | NPC327796 |