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DocumentationIdentifier: MM397315
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM397315 |
| SMILES |
COCC(O)C#CC(=O)O
|
| InChIKey |
WWWHLMYBKFXCRO-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM436835
Similarity: 0.7925
Similarity to MM436835
| Tanimoto metric | 0.7925 |
|---|---|
| Cosine metric | 0.8902 |
| Dice metric | 0.8842 |
| MW: | 130.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM323216
Similarity: 0.7302
Similarity to MM323216
| Tanimoto metric | 0.7302 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.844 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM397352
Similarity: 0.687
Similarity to MM397352
| Tanimoto metric | 0.687 |
|---|---|
| Cosine metric | 0.8152 |
| Dice metric | 0.8145 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+297 more
