Drug ID:   | NPD8222 |
Drug Name:   | Noxytiolin |
Molecular Formula:   | C3H8N2OS |
Canonical SMILES:   | CN=C(NCO)S |
Standard InCHI:   | InChI=1S/C3H8N2OS/c1-4-3(7)5-2-6/h6H,2H2,1H3,(H2,4,5,7) |
Standard InCHIKey:   | JLMHZVYLAQPMOZ-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
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 |
---|---|---|
Intermediate Similarity | 0.7812 | NPC73371 |
Molecular Weight   | 120.04 |
ALogP   | -0.136 |
MLogP   | 1.35 |
XLogP   | -0.074 |
HDA   | 3 |
HBD   | 2 |
Rotatable Bonds   | 5 |
TPSA   | 83.42 |
RO5 Violation   | 0 |