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DocumentationIdentifier: MM82429
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82429 |
| SMILES |
C#CC(=O)C(O)C(O)C#C
|
| InChIKey |
AWZMDGATYBRLFC-UHFFFAOYSA-N
|
| MW [Da] |
138.12
Automatically obtained from RDkit software. |
| LogP |
-1.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160470
Similarity: 0.8182
Similarity to MM160470
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160313
Similarity: 0.7832
Similarity to MM160313
| Tanimoto metric | 0.7832 |
|---|---|
| Cosine metric | 0.885 |
| Dice metric | 0.8784 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349813
Similarity: 0.7195
Similarity to MM349813
| Tanimoto metric | 0.7195 |
|---|---|
| Cosine metric | 0.837 |
| Dice metric | 0.8369 |
| MW: | 142.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+158 more
