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DocumentationIdentifier: MM183659
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM183659 |
| SMILES |
CNC(C#N)C(O)C=CF
|
| InChIKey |
JHQOGFFYXFUBBJ-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
-0.06
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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MM78918
Similarity: 0.6903
Similarity to MM78918
| Tanimoto metric | 0.6903 |
|---|---|
| Cosine metric | 0.8309 |
| Dice metric | 0.8168 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM47919
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| Tanimoto metric | 0.6722 |
|---|---|
| Cosine metric | 0.8043 |
| Dice metric | 0.804 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM187982
Similarity: 0.663
Similarity to MM187982
| Tanimoto metric | 0.663 |
|---|---|
| Cosine metric | 0.7975 |
| Dice metric | 0.7974 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+86 more
