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DocumentationIdentifier: MM27836
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM27836 |
| SMILES |
CN(C)C(C#N)C(F)C#N
|
| InChIKey |
OZDXDXUWZHOGHR-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM28827
Similarity: 0.7698
Similarity to MM28827
| Tanimoto metric | 0.7698 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.8699 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160040
Similarity: 0.7482
Similarity to MM160040
| Tanimoto metric | 0.7482 |
|---|---|
| Cosine metric | 0.865 |
| Dice metric | 0.856 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM220757
Similarity: 0.6171
Similarity to MM220757
| Tanimoto metric | 0.6171 |
|---|---|
| Cosine metric | 0.7634 |
| Dice metric | 0.7633 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+42 more
