Drug Information| Drug ID: | NPD8227 |
| Drug Name: | |
| Molecular Formula: | C3H8O3S3 |
| Canonical SMILES: | SCC(CS(=O)(=O)O)S |
| Standard InCHI: | "InChI=1S/C3H8O3S3/c4-9(5,6)2-3(8)1-7/h3,7-8H,1-2H2,(H,4,5,6)" |
| Standard InCHIKey: | JLVSRWOIZZXQAD-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 1 |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD8227Similarity 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 | 0.65 | NPC164469 |
| Remote Similarity | 0.65 | NPC137877 |
| Remote Similarity | 0.6316 | NPC206979 |
| Remote Similarity | 0.6316 | NPC609522 |
| Remote Similarity | 0.5909 | NPC318128 |