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DocumentationIdentifier: MM16234
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM16234 |
| SMILES |
CC#CC(O)C#CC(=O)O
|
| InChIKey |
GOVVKRWUFVGFBG-UHFFFAOYSA-N
|
| MW [Da] |
138.12
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 |
Similar entries
MM44182
Similarity: 0.9091
Similarity to MM44182
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28829
Similarity: 0.7045
Similarity to MM28829
| Tanimoto metric | 0.7045 |
|---|---|
| Cosine metric | 0.8394 |
| Dice metric | 0.8267 |
| MW: | 114.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM16237
Similarity: 0.6897
Similarity to MM16237
| Tanimoto metric | 0.6897 |
|---|---|
| Cosine metric | 0.8206 |
| Dice metric | 0.8163 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+329 more
