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DocumentationIdentifier: MM306751
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306751 |
| SMILES |
C#CC(F)C(F)(C#C)C#N
|
| InChIKey |
JKBGEXYLTPYICE-UHFFFAOYSA-N
|
| MW [Da] |
139.1
Automatically obtained from RDkit software. |
| LogP |
0.82
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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MM306738
Similarity: 0.7886
Similarity to MM306738
| Tanimoto metric | 0.7886 |
|---|---|
| Cosine metric | 0.8818 |
| Dice metric | 0.8818 |
| MW: | 140.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320276
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| Tanimoto metric | 0.6724 |
|---|---|
| Cosine metric | 0.8062 |
| Dice metric | 0.8041 |
| MW: | 140.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM229861
Similarity: 0.6517
Similarity to MM229861
| Tanimoto metric | 0.6517 |
|---|---|
| Cosine metric | 0.7906 |
| Dice metric | 0.7892 |
| MW: | 147.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+19 more
