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DocumentationIdentifier: MM28829
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28829 |
| SMILES |
CC(O)C#CC(=O)O
|
| InChIKey |
FQXFFJFQGSVUOP-UHFFFAOYSA-N
|
| MW [Da] |
114.1
Automatically obtained from RDkit software. |
| LogP |
-0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM44182
Similarity: 0.775
Similarity to MM44182
| Tanimoto metric | 0.775 |
|---|---|
| Cosine metric | 0.8803 |
| Dice metric | 0.8732 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM418792
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Similarity to MM418792
| Tanimoto metric | 0.747 |
|---|---|
| Cosine metric | 0.8643 |
| Dice metric | 0.8552 |
| MW: | 128.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM436835
Similarity: 0.7381
Similarity to MM436835
| Tanimoto metric | 0.7381 |
|---|---|
| Cosine metric | 0.8591 |
| Dice metric | 0.8493 |
| MW: | 130.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+259 more
