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DocumentationIdentifier: MM97867
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97867 |
| SMILES |
CCC(F)CCO
|
| InChIKey |
XOFAMHBRBMRCPR-UHFFFAOYSA-N
|
| MW [Da] |
106.14
Automatically obtained from RDkit software. |
| LogP |
1.12
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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MM23919
Similarity: 0.7778
Similarity to MM23919
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 92.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107149
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| Tanimoto metric | 0.75 |
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| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 120.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM33804
Similarity: 0.72
Similarity to MM33804
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8372 |
| MW: | 124.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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