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DocumentationIdentifier: MM171706
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171706 |
| SMILES |
C#CC(F)=CC#CCC
|
| InChIKey |
HCHFGFOGMVYJCP-UHFFFAOYSA-N
|
| MW [Da] |
122.14
Automatically obtained from RDkit software. |
| LogP |
1.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM371964
Similarity: 0.8974
Similarity to MM371964
| Tanimoto metric | 0.8974 |
|---|---|
| Cosine metric | 0.9473 |
| Dice metric | 0.9459 |
| MW: | 132.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292558
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Similarity to MM292558
| Tanimoto metric | 0.8974 |
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| Cosine metric | 0.9473 |
| Dice metric | 0.9459 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM371956
Similarity: 0.875
Similarity to MM371956
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+566 more
