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DocumentationIdentifier: MM163667
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM163667 |
| SMILES |
CCC#CC(=O)C(C)F
|
| InChIKey |
MSWNHOAMXDUGAK-UHFFFAOYSA-N
|
| MW [Da] |
128.15
Automatically obtained from RDkit software. |
| LogP |
1.33
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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| Tanimoto metric | 0.9175 |
|---|---|
| Cosine metric | 0.9579 |
| Dice metric | 0.957 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM294259
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| Tanimoto metric | 0.8812 |
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| Cosine metric | 0.9387 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.51 |
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| AI: | 0
Total active interactions
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MM255798
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| Tanimoto metric | 0.8476 |
|---|---|
| Cosine metric | 0.9207 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+493 more
