Drug Information| Drug ID: | NPD7382 |
| Drug Name: | Cysteamine |
| Molecular Formula: | C2H7NS |
| Canonical SMILES: | NCCS |
| Standard InCHI: | "InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2" |
| Standard InCHIKey: | UFULAYFCSOUIOV-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 4 |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD7382Similarity 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 | NPC326253 |
| High Similarity | 1.0 | NPC262962 |
| Remote Similarity | 0.5833 | NPC299704 |
| Remote Similarity | 0.5833 | NPC520144 |
| Remote Similarity | 0.5455 | NPC84444 |
| Remote Similarity | 0.5455 | NPC141902 |
| Remote Similarity | 0.5455 | NPC145217 |
| Remote Similarity | 0.5455 | NPC313303 |
| Remote Similarity | 0.5455 | NPC170658 |
| Remote Similarity | 0.5455 | NPC611656 |
| Remote Similarity | 0.5385 | NPC328729 |
| 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 |