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DocumentationIdentifier: MM160947
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160947 |
| SMILES |
C#CC(O)C(=O)C(C)O
|
| InChIKey |
PWHNUYDXEGDWHM-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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MM173578
Similarity: 0.7757
Similarity to MM173578
| Tanimoto metric | 0.7757 |
|---|---|
| Cosine metric | 0.8754 |
| Dice metric | 0.8737 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112053
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| Cosine metric | 0.8617 |
| Dice metric | 0.8523 |
| MW: | 114.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM351697
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Similarity to MM351697
| Tanimoto metric | 0.6966 |
|---|---|
| Cosine metric | 0.8346 |
| Dice metric | 0.8211 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+248 more
