Drug ID:   | NPD8579 |
Drug Name:   | Acesulfame |
Molecular Formula:   | C4H5NO4S |
Canonical SMILES:   | CC1=CC(=NS(=O)(=O)O1)O |
Standard InCHI:   | InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6) |
Standard InCHIKey:   | YGCFIWIQZPHFLU-UHFFFAOYSA-N |
Max Developmental Stage:   | Phase 3 |
Max Developmental Stage Source:   | ChEMBL |
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 |
---|---|---|
Remote Similarity | 0.6327 | NPC86121 |
Molecular Weight   | 162.99 |
ALogP   | -0.7668 |
MLogP   | 1.24 |
XLogP   | -0.93 |
HDA   | 5 |
HBD   | 1 |
Rotatable Bonds   | 2 |
TPSA   | 84.34 |
RO5 Violation   | 0 |