Drug Information| Drug ID: | NPD7381 |
| Drug Name: | Cysteamine Hydrochloride |
| Molecular Formula: | C2H7NS.ClH |
| Canonical SMILES: | NCCS.Cl |
| Standard InCHI: | "InChI=1S/C2H7NS.ClH/c3-1-2-4;/h4H,1-3H2;1H" |
| Standard InCHIKey: | OGMADIBCHLQMIP-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD7381Similarity 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 | 0.8889 | NPC326253 |
| High Similarity | 0.8889 | NPC262962 |
| Remote Similarity | 0.5385 | NPC299704 |
| Remote Similarity | 0.5385 | NPC520144 |
| TTD | |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | 0 |
| ChEBI | |
| CAS Number |
| Molecular Weight | 77.03 |
| ALogP | -0.2157 |
| MLogP | 1.46 |
| XLogP | 0.106 |
| HDA | 1 |
| HBD | 1 |
| Rotatable Bonds | 3 |
| TPSA | 64.82 |
| RO5 Violation | 0 |