Drug Information| Drug ID: | NPD402 |
| Drug Name: | Simethicone |
| Molecular Formula: | C10H28O2Si3 |
| Canonical SMILES: | CC([SiH2]O[Si](O[SiH2]C(C)(C)C)(C)C)(C)C |
| Standard InCHI: | InChI=1S/C10H28O2Si3/c1-9(2,3)13-11-15(7,8)12-14-10(4,5)6/h13-14H2,1-8H3 |
| Standard InCHIKey: | RCWJYRMHVVMYJL-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD402Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient 
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| Remote Similarity | 0.6667 | NPC219694 |
| Remote Similarity | 0.6522 | NPC188413 |
| Remote Similarity | 0.64 | NPC217229 |