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DocumentationIdentifier: MM35466
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM35466 |
| SMILES |
C#CC(O)C(F)C=O
|
| InChIKey |
IRDZBILXJPAOQH-UHFFFAOYSA-N
|
| MW [Da] |
116.09
Automatically obtained from RDkit software. |
| LogP |
-0.48
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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MM50879
Similarity: 0.7727
Similarity to MM50879
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.879 |
| Dice metric | 0.8718 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137744
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| Tanimoto metric | 0.6967 |
|---|---|
| Cosine metric | 0.8347 |
| Dice metric | 0.8213 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM15869
Similarity: 0.6911
Similarity to MM15869
| Tanimoto metric | 0.6911 |
|---|---|
| Cosine metric | 0.8313 |
| Dice metric | 0.8173 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+327 more
