Drug ID:   | NPD7370 |
Drug Name:   | Ethyl Nitrite [Spirit] |
Molecular Formula:   | C2H5NO2 |
Canonical SMILES:   | CCON=O |
Standard InCHI:   | InChI=1S/C2H5NO2/c1-2-5-3-4/h2H2,1H3 |
Standard InCHIKey:   | QQZWEECEMNQSTG-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 | 0.7727 | NPC84750 |
Intermediate Similarity | 0.7083 | NPC190117 |
Remote Similarity | 0.5714 | NPC304836 |
Molecular Weight   | 75.03 |
ALogP   | -1.6967 |
MLogP   | 1.35 |
XLogP   | 1.275 |
HDA   | 0 |
HBD   | 0 |
Rotatable Bonds   | 3 |
TPSA   | 38.66 |
RO5 Violation   | 0 |