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DocumentationIdentifier: MM84816
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84816 |
| SMILES |
C#CC(=O)C(C)OCC#N
|
| InChIKey |
HEKJPMNLETXWEU-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172843
Similarity: 0.8175
Similarity to MM172843
| Tanimoto metric | 0.8175 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.8996 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84796
Similarity: 0.7343
Similarity to MM84796
| Tanimoto metric | 0.7343 |
|---|---|
| Cosine metric | 0.8469 |
| Dice metric | 0.8468 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350005
Similarity: 0.7254
Similarity to MM350005
| Tanimoto metric | 0.7254 |
|---|---|
| Cosine metric | 0.8412 |
| Dice metric | 0.8408 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+216 more
