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DocumentationIdentifier: MM220696
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM220696 |
| SMILES |
C#CC(C)(F)CC(C)(C)C
|
| InChIKey |
OPFVKUKYDYSOMH-UHFFFAOYSA-N
|
| MW [Da] |
142.22
Automatically obtained from RDkit software. |
| LogP |
2.78
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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MM130709
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| Tanimoto metric | 0.8556 |
|---|---|
| Cosine metric | 0.925 |
| Dice metric | 0.9222 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7549 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.01 |
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MM226626
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|---|---|
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
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Total active interactions
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