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DocumentationIdentifier: MM317328
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317328 |
| SMILES |
C#CC(=O)OCC(O)CO
|
| InChIKey |
BBRHZBCHVFRJMW-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-1.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43839
Similarity: 0.8241
Similarity to MM43839
| Tanimoto metric | 0.8241 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9036 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144334
Similarity: 0.7315
Similarity to MM144334
| Tanimoto metric | 0.7315 |
|---|---|
| Cosine metric | 0.8553 |
| Dice metric | 0.8449 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317342
Similarity: 0.7008
Similarity to MM317342
| Tanimoto metric | 0.7008 |
|---|---|
| Cosine metric | 0.8241 |
| Dice metric | 0.8241 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+235 more
