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DocumentationIdentifier: MM15869
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15869 |
| SMILES |
C#CC(OC)C(F)C=O
|
| InChIKey |
PEAVUNOHEQPAFF-UHFFFAOYSA-N
|
| MW [Da] |
130.12
Automatically obtained from RDkit software. |
| LogP |
0.17
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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MM377228
Similarity: 0.7885
Similarity to MM377228
| Tanimoto metric | 0.7885 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8817 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239011
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| Tanimoto metric | 0.7321 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8454 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM35466
Similarity: 0.6911
Similarity to MM35466
| Tanimoto metric | 0.6911 |
|---|---|
| Cosine metric | 0.8313 |
| Dice metric | 0.8173 |
| MW: | 116.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+279 more
