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DocumentationIdentifier: MM349859
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349859 |
| SMILES |
C#CC(O)C(O)C(=O)CO
|
| InChIKey |
JOMOIMZAIBUQJQ-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-2.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160313
Similarity: 0.7671
Similarity to MM160313
| Tanimoto metric | 0.7671 |
|---|---|
| Cosine metric | 0.8759 |
| Dice metric | 0.8682 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160356
Similarity: 0.7192
Similarity to MM160356
| Tanimoto metric | 0.7192 |
|---|---|
| Cosine metric | 0.848 |
| Dice metric | 0.8367 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172647
Similarity: 0.6438
Similarity to MM172647
| Tanimoto metric | 0.6438 |
|---|---|
| Cosine metric | 0.8024 |
| Dice metric | 0.7833 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+143 more
