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DocumentationIdentifier: MM349407
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349407 |
| SMILES |
C#CC(=O)C(O)C(O)CO
|
| InChIKey |
LCTYTQFEZSEOEL-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
MM160470
Similarity: 0.7959
Similarity to MM160470
| Tanimoto metric | 0.7959 |
|---|---|
| Cosine metric | 0.8921 |
| Dice metric | 0.8864 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349813
Similarity: 0.6923
Similarity to MM349813
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8185 |
| Dice metric | 0.8182 |
| MW: | 142.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160141
Similarity: 0.6803
Similarity to MM160141
| Tanimoto metric | 0.6803 |
|---|---|
| Cosine metric | 0.8248 |
| Dice metric | 0.8097 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+215 more
