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DocumentationIdentifier: MM139519
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM139519 |
| SMILES |
CCCC(C)(C#N)C#N
|
| InChIKey |
FXDKLYBFEHSIKD-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
1.84
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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MM77341
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Similarity to MM77341
| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.9333 |
| Dice metric | 0.931 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.01 |
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|---|---|---|---|---|---|
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Total active interactions
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MM103045
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| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+385 more
