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DocumentationIdentifier: MM178217
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM178217 |
| SMILES |
CCCC(C=O)C=CF
|
| InChIKey |
WBFWCKMIHLGGRS-UHFFFAOYSA-N
|
| MW [Da] |
130.16
Automatically obtained from RDkit software. |
| LogP |
2.08
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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MM388900
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| Tanimoto metric | 0.8764 |
|---|---|
| Cosine metric | 0.9362 |
| Dice metric | 0.9341 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM272700
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| Cosine metric | 0.9362 |
| Dice metric | 0.9341 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.33 |
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Total active interactions
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MM274018
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| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+590 more
