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DocumentationIdentifier: MM91774
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91774 |
| SMILES |
C=NNC=C(C#N)OC=O
|
| InChIKey |
KOTYVDYXSUNOLR-UHFFFAOYSA-N
|
| MW [Da] |
139.11
Automatically obtained from RDkit software. |
| LogP |
-0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM38144
Similarity: 0.6066
Similarity to MM38144
| Tanimoto metric | 0.6066 |
|---|---|
| Cosine metric | 0.7788 |
| Dice metric | 0.7551 |
| MW: | 112.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78871
Similarity: 0.5817
Similarity to MM78871
| Tanimoto metric | 0.5817 |
|---|---|
| Cosine metric | 0.7356 |
| Dice metric | 0.7355 |
| MW: | 142.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52852
Similarity: 0.5385
Similarity to MM52852
| Tanimoto metric | 0.5385 |
|---|---|
| Cosine metric | 0.7042 |
| Dice metric | 0.7 |
| MW: | 127.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+43 more
