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DocumentationIdentifier: MM291383
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291383 |
| SMILES |
CCCCCC(F)CC#N
|
| InChIKey |
OCNFNMXJQKVQKZ-UHFFFAOYSA-N
|
| MW [Da] |
143.21
Automatically obtained from RDkit software. |
| LogP |
2.82
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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MM107199
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| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
| MW: | 115.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM165677
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| Tanimoto metric | 0.7576 |
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| Cosine metric | 0.8641 |
| Dice metric | 0.8621 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM250540
Similarity: 0.75
Similarity to MM250540
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8591 |
| Dice metric | 0.8571 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+400 more
