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DocumentationIdentifier: MM371927
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM371927 |
| SMILES |
C#CCC#CC=C(F)C=C
|
| InChIKey |
XWFHPFPWUBAAGF-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
2.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171673
Similarity: 0.8824
Similarity to MM171673
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371908
Similarity: 0.8065
Similarity to MM371908
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.8929 |
| Dice metric | 0.8929 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371866
Similarity: 0.7732
Similarity to MM371866
| Tanimoto metric | 0.7732 |
|---|---|
| Cosine metric | 0.8722 |
| Dice metric | 0.8721 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+185 more
