Drug Information| Drug ID: | NPD9750 |
| Drug Name: | |
| Molecular Formula: | CH2O3 |
| Canonical SMILES: | [O-]C(=O)[O-] |
| Standard InCHI: | "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2" |
| Standard InCHIKey: | BVKZGUZCCUSVTD-UHFFFAOYSA-L |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9750Similarity 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 | NPC145466 |
| Remote Similarity | 0.6667 | NPC317063 |
| Remote Similarity | 0.5714 | NPC251720 |
| Remote Similarity | 0.5714 | NPC315615 |