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DocumentationIdentifier: MM290689
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM290689 |
| SMILES |
C#CC#CC#CC=C(F)F
|
| InChIKey |
RLEITGDUBNJJNZ-UHFFFAOYSA-N
|
| MW [Da] |
136.1
Automatically obtained from RDkit software. |
| LogP |
1.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155129
Similarity: 0.8966
Similarity to MM155129
| Tanimoto metric | 0.8966 |
|---|---|
| Cosine metric | 0.9469 |
| Dice metric | 0.9455 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290684
Similarity: 0.8667
Similarity to MM290684
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9292 |
| Dice metric | 0.9286 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106674
Similarity: 0.7931
Similarity to MM106674
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 112.08 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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