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DocumentationIdentifier: MM116976
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116976 |
| SMILES |
N#CC(C=O)C(F)F
|
| InChIKey |
LUZAZTSLIABFOU-UHFFFAOYSA-N
|
| MW [Da] |
119.07
Automatically obtained from RDkit software. |
| LogP |
0.59
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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| Tanimoto metric | 0.7922 |
|---|---|
| Cosine metric | 0.8901 |
| Dice metric | 0.8841 |
| MW: | 137.06 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8573 |
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| MW: | 133.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
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| AI: | 0
Total active interactions
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MM27513
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Similarity to MM27513
| Tanimoto metric | 0.7213 |
|---|---|
| Cosine metric | 0.8493 |
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| MW: | 101.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+121 more
