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DocumentationIdentifier: MM78129
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78129 |
| SMILES |
C#CC(C=C)(CO)OC=O
|
| InChIKey |
AZAKTBRENLCKBF-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139422
Similarity: 0.6419
Similarity to MM139422
| Tanimoto metric | 0.6419 |
|---|---|
| Cosine metric | 0.8012 |
| Dice metric | 0.7819 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312641
Similarity: 0.5723
Similarity to MM312641
| Tanimoto metric | 0.5723 |
|---|---|
| Cosine metric | 0.7346 |
| Dice metric | 0.728 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78164
Similarity: 0.5697
Similarity to MM78164
| Tanimoto metric | 0.5697 |
|---|---|
| Cosine metric | 0.7334 |
| Dice metric | 0.7259 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+45 more
