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DocumentationIdentifier: MM199379
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM199379 |
| SMILES |
C#CC(C=O)OCC=O
|
| InChIKey |
UNGATNNBYYPSMK-UHFFFAOYSA-N
|
| MW [Da] |
126.11
Automatically obtained from RDkit software. |
| LogP |
-0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM79886
Similarity: 0.9136
Similarity to MM79886
| Tanimoto metric | 0.9136 |
|---|---|
| Cosine metric | 0.9558 |
| Dice metric | 0.9548 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37743
Similarity: 0.8649
Similarity to MM37743
| Tanimoto metric | 0.8649 |
|---|---|
| Cosine metric | 0.93 |
| Dice metric | 0.9275 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54455
Similarity: 0.85
Similarity to MM54455
| Tanimoto metric | 0.85 |
|---|---|
| Cosine metric | 0.9189 |
| Dice metric | 0.9189 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+241 more
