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DocumentationIdentifier: MM36138
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM36138 |
| SMILES |
C#CCN(C)C(C#N)CF
|
| InChIKey |
OGBUXJUHHUFGOI-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199043
Similarity: 0.6949
Similarity to MM199043
| Tanimoto metric | 0.6949 |
|---|---|
| Cosine metric | 0.8336 |
| Dice metric | 0.82 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406882
Similarity: 0.6767
Similarity to MM406882
| Tanimoto metric | 0.6767 |
|---|---|
| Cosine metric | 0.8085 |
| Dice metric | 0.8072 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42565
Similarity: 0.6525
Similarity to MM42565
| Tanimoto metric | 0.6525 |
|---|---|
| Cosine metric | 0.8078 |
| Dice metric | 0.7897 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+86 more
