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DocumentationIdentifier: MM35299
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM35299 |
| SMILES |
C#CC(F)(C=O)C=O
|
| InChIKey |
WDIJDSXYRPWJPG-UHFFFAOYSA-N
|
| MW [Da] |
114.08
Automatically obtained from RDkit software. |
| LogP |
-0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM25777
Similarity: 0.8065
Similarity to MM25777
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 100.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139798
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Similarity to MM139798
| Tanimoto metric | 0.7381 |
|---|---|
| Cosine metric | 0.8591 |
| Dice metric | 0.8493 |
| MW: | 128.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111452
Similarity: 0.6757
Similarity to MM111452
| Tanimoto metric | 0.6757 |
|---|---|
| Cosine metric | 0.8065 |
| Dice metric | 0.8065 |
| MW: | 110.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+133 more
