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DocumentationIdentifier: MM165925
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM165925 |
| SMILES |
CCCCCC(F)C=O
|
| InChIKey |
NLUYELGXACNDKZ-UHFFFAOYSA-N
|
| MW [Da] |
132.18
Automatically obtained from RDkit software. |
| LogP |
2.1
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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MM112779
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| Tanimoto metric | 0.8772 |
|---|---|
| Cosine metric | 0.9366 |
| Dice metric | 0.9346 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165928
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| Tanimoto metric | 0.8254 |
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| Cosine metric | 0.9044 |
| Dice metric | 0.9043 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM364124
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| Tanimoto metric | 0.7808 |
|---|---|
| Cosine metric | 0.8836 |
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| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+361 more
