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DocumentationIdentifier: MM172059
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172059 |
| SMILES |
CCCC(C)C(F)C#N
|
| InChIKey |
UAZMWYPUVGBALM-UHFFFAOYSA-N
|
| MW [Da] |
129.18
Automatically obtained from RDkit software. |
| LogP |
2.28
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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MM362399
Similarity: 0.7714
Similarity to MM362399
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.871 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM111545
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| Tanimoto metric | 0.7654 |
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| Cosine metric | 0.8749 |
| Dice metric | 0.8671 |
| MW: | 115.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM141627
Similarity: 0.7033
Similarity to MM141627
| Tanimoto metric | 0.7033 |
|---|---|
| Cosine metric | 0.8266 |
| Dice metric | 0.8258 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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