Drug Information| Drug ID: | NPD71 |
| Drug Name: | Bismuth Subcitrate |
| Molecular Formula: | 2C6H8O7.Bi.3K |
| Canonical SMILES: | OC(=O)C(CC(=O)O)(CC(=O)O)O.OC(=O)C(CC(=O)[O-])(CC(=O)[O-])O.[K+].[K+].[K+].[Bi+3] |
| Standard InCHI: | "InChI=1S/2C6H8O7.Bi.3K/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;/q;;+3;3*+1/p-2" |
| Standard InCHIKey: | ZQUAVILLCXTKTF-UHFFFAOYSA-L |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | DrugBank |
Structural Similarity Between NPASS Natural Products and NPD71Similarity 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 |
|---|---|---|
| Intermediate Similarity | 0.8182 | NPC298999 |
| Intermediate Similarity | 0.7727 | NPC293378 |
| Intermediate Similarity | 0.7727 | NPC611612 |
| Remote Similarity | 0.6296 | NPC313599 |
| Remote Similarity | 0.56 | NPC322110 |
| Remote Similarity | 0.56 | NPC492873 |
| Remote Similarity | 0.5385 | NPC69289 |
| Remote Similarity | 0.5385 | NPC491817 |
| Remote Similarity | 0.5185 | NPC273027 |
| Remote Similarity | 0.5185 | NPC26996 |
| Remote Similarity | 0.5185 | NPC327012 |