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DocumentationIdentifier: MM306779
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306779 |
| SMILES |
C#CC(F)(C#C)C(C)CO
|
| InChIKey |
XTETWHCSZHPDCT-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
0.59
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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MM139626
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Similarity to MM139626
| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.841 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM320075
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| Tanimoto metric | 0.6577 |
|---|---|
| Cosine metric | 0.7964 |
| Dice metric | 0.7935 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM15345
Similarity: 0.6423
Similarity to MM15345
| Tanimoto metric | 0.6423 |
|---|---|
| Cosine metric | 0.7822 |
| Dice metric | 0.7822 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+266 more
