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:   | Approved |
Max Developmental Stage Source:   | TTD; ChEMBL; IUPHAR/BPS |
Similarity 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.
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 |
---|---|---|
High Similarity | 1.0 | NPC326253 |
Remote Similarity | 0.6786 | NPC322658 |
Remote Similarity | 0.6552 | NPC278821 |
Remote Similarity | 0.6552 | NPC300059 |
Remote Similarity | 0.5833 | NPC309715 |
Remote Similarity | 0.56 | NPC27869 |
Remote Similarity | 0.56 | NPC309330 |
Remote Similarity | 0.56 | NPC28081 |
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 |