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DocumentationIdentifier: MM349813
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349813 |
| SMILES |
C#CC(=O)C(O)C(O)C=O
|
| InChIKey |
VNIPJLVRLKXFGV-UHFFFAOYSA-N
|
| MW [Da] |
142.11
Automatically obtained from RDkit software. |
| LogP |
-1.89
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: 0.8417
Similarity to MM160470
| Tanimoto metric | 0.8417 |
|---|---|
| Cosine metric | 0.9175 |
| Dice metric | 0.9141 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82429
Similarity: 0.7195
Similarity to MM82429
| Tanimoto metric | 0.7195 |
|---|---|
| Cosine metric | 0.837 |
| Dice metric | 0.8369 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172855
Similarity: 0.6978
Similarity to MM172855
| Tanimoto metric | 0.6978 |
|---|---|
| Cosine metric | 0.8354 |
| Dice metric | 0.822 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+124 more
