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DocumentationIdentifier: MM91092
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91092 |
| SMILES |
N#CCOCCC(F)C#N
|
| InChIKey |
DCCVISFRXMHFQB-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165954
Similarity: 0.878
Similarity to MM165954
| Tanimoto metric | 0.878 |
|---|---|
| Cosine metric | 0.937 |
| Dice metric | 0.9351 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM152568
Similarity: 0.7805
Similarity to MM152568
| Tanimoto metric | 0.7805 |
|---|---|
| Cosine metric | 0.8835 |
| Dice metric | 0.8767 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM363622
Similarity: 0.7742
Similarity to MM363622
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8727 |
| Dice metric | 0.8727 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+416 more
