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DocumentationIdentifier: MM228557
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228557 |
| SMILES |
CC(F)C#CC(C)(F)C=O
|
| InChIKey |
SQQMIVZTWMMITQ-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
1.27
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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MM241574
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| Tanimoto metric | 0.8241 |
|---|---|
| Cosine metric | 0.905 |
| Dice metric | 0.9036 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228550
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Similarity to MM228550
| Tanimoto metric | 0.8241 |
|---|---|
| Cosine metric | 0.905 |
| Dice metric | 0.9036 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM139081
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Similarity to MM139081
| Tanimoto metric | 0.8173 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.8995 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+286 more
