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DocumentationIdentifier: MM139509
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM139509 |
| SMILES |
C#CCC(F)(C#C)CO
|
| InChIKey |
MVXXRMQONAMDQI-UHFFFAOYSA-N
|
| MW [Da] |
126.13
Automatically obtained from RDkit software. |
| LogP |
0.34
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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MM320148
Similarity: 0.7803
Similarity to MM320148
| Tanimoto metric | 0.7803 |
|---|---|
| Cosine metric | 0.8833 |
| Dice metric | 0.8766 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM111430
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Similarity to MM111430
| Tanimoto metric | 0.7573 |
|---|---|
| Cosine metric | 0.8702 |
| Dice metric | 0.8619 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM139466
Similarity: 0.7167
Similarity to MM139466
| Tanimoto metric | 0.7167 |
|---|---|
| Cosine metric | 0.835 |
| Dice metric | 0.835 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+221 more
