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DocumentationIdentifier: MM87283
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87283 |
| SMILES |
CC(C#N)=C(C#N)OC=O
|
| InChIKey |
RYESAKHMESNGEM-UHFFFAOYSA-N
|
| MW [Da] |
136.11
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175920
Similarity: 0.7813
Similarity to MM175920
| Tanimoto metric | 0.7813 |
|---|---|
| Cosine metric | 0.8839 |
| Dice metric | 0.8772 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52007
Similarity: 0.6953
Similarity to MM52007
| Tanimoto metric | 0.6953 |
|---|---|
| Cosine metric | 0.8339 |
| Dice metric | 0.8203 |
| MW: | 122.08 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385491
Similarity: 0.5917
Similarity to MM385491
| Tanimoto metric | 0.5917 |
|---|---|
| Cosine metric | 0.7444 |
| Dice metric | 0.7435 |
| MW: | 135.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+59 more
