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DocumentationIdentifier: MM169540
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM169540 |
| SMILES |
CCC(F)C=COC=O
|
| InChIKey |
ACSSTXXBDLLBPW-UHFFFAOYSA-N
|
| MW [Da] |
132.13
Automatically obtained from RDkit software. |
| LogP |
1.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM281630
Similarity: 0.8556
Similarity to MM281630
| Tanimoto metric | 0.8556 |
|---|---|
| Cosine metric | 0.925 |
| Dice metric | 0.9222 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83572
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| Tanimoto metric | 0.8105 |
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| Cosine metric | 0.9003 |
| Dice metric | 0.8953 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM114006
Similarity: 0.7792
Similarity to MM114006
| Tanimoto metric | 0.7792 |
|---|---|
| Cosine metric | 0.8827 |
| Dice metric | 0.8759 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+583 more
