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DocumentationIdentifier: MM42557
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42557 |
| SMILES |
CC(C)C(F)(C=O)CO
|
| InChIKey |
BEQUIJWJJCWXSU-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
0.54
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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MM35127
Similarity: 0.7822
Similarity to MM35127
| Tanimoto metric | 0.7822 |
|---|---|
| Cosine metric | 0.8844 |
| Dice metric | 0.8778 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319862
Similarity: 0.7537
Similarity to MM319862
| Tanimoto metric | 0.7537 |
|---|---|
| Cosine metric | 0.8682 |
| Dice metric | 0.8596 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139410
Similarity: 0.6585
Similarity to MM139410
| Tanimoto metric | 0.6585 |
|---|---|
| Cosine metric | 0.7942 |
| Dice metric | 0.7941 |
| MW: | 134.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+291 more
