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DocumentationIdentifier: MM267075
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM267075 |
| SMILES |
CCC=C(C)C=C(C)CF
|
| InChIKey |
WWXWIGBAFSNCKG-UHFFFAOYSA-N
|
| MW [Da] |
142.22
Automatically obtained from RDkit software. |
| LogP |
3.26
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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MM143881
Similarity: 0.878
Similarity to MM143881
| Tanimoto metric | 0.878 |
|---|---|
| Cosine metric | 0.937 |
| Dice metric | 0.9351 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM267076
Similarity: 0.8182
Similarity to MM267076
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9003 |
| Dice metric | 0.9 |
| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM339360
Similarity: 0.7826
Similarity to MM339360
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.878 |
| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+734 more
