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DocumentationIdentifier: MM160470
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160470 |
| SMILES |
C#CC(=O)C(O)C(C)O
|
| InChIKey |
NANQHZRMSGYTFU-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
-1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM349813
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| Tanimoto metric | 0.8417 |
|---|---|
| Cosine metric | 0.9175 |
| Dice metric | 0.9141 |
| MW: | 142.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM82429
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| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM349407
Similarity: 0.7959
Similarity to MM349407
| Tanimoto metric | 0.7959 |
|---|---|
| Cosine metric | 0.8921 |
| Dice metric | 0.8864 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+281 more
