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DocumentationIdentifier: MM142446
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142446 |
| SMILES |
C#CC(O)CC(=O)CO
|
| InChIKey |
XKVVKDIREJBNQV-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 |
Similar entries
MM32987
Similarity: 0.7391
Similarity to MM32987
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.85 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43056
Similarity: 0.6822
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| Tanimoto metric | 0.6822 |
|---|---|
| Cosine metric | 0.8113 |
| Dice metric | 0.8111 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227143
Similarity: 0.6765
Similarity to MM227143
| Tanimoto metric | 0.6765 |
|---|---|
| Cosine metric | 0.8225 |
| Dice metric | 0.807 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+311 more
