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DocumentationIdentifier: MM145969
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM145969 |
| SMILES |
C#CC(F)C#CC(C)F
|
| InChIKey |
ALHOSEHIZFILGG-UHFFFAOYSA-N
|
| MW [Da] |
128.12
Automatically obtained from RDkit software. |
| LogP |
1.32
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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MM323061
Similarity: 0.9661
Similarity to MM323061
| Tanimoto metric | 0.9661 |
|---|---|
| Cosine metric | 0.9829 |
| Dice metric | 0.9828 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8308 |
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| Cosine metric | 0.9084 |
| Dice metric | 0.9076 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM170601
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Similarity to MM170601
| Tanimoto metric | 0.8305 |
|---|---|
| Cosine metric | 0.9088 |
| Dice metric | 0.9074 |
| MW: | 120.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+959 more
