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DocumentationIdentifier: MM192986
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM192986 |
| SMILES |
CC(F)CNC1CC1C
|
| InChIKey |
BJHKPCQTKZWDHE-UHFFFAOYSA-N
|
| MW [Da] |
131.19
Automatically obtained from RDkit software. |
| LogP |
1.34
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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| Tanimoto metric | 0.8019 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.8901 |
| MW: | 117.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7197 |
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| Cosine metric | 0.8388 |
| Dice metric | 0.837 |
| MW: | 145.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.73 |
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|---|---|---|---|---|---|
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Total active interactions
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MM184486
Similarity: 0.7016
Similarity to MM184486
| Tanimoto metric | 0.7016 |
|---|---|
| Cosine metric | 0.8247 |
| Dice metric | 0.8246 |
| MW: | 131.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+507 more
