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DocumentationIdentifier: MM02172
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02172 |
| SMILES |
CC(C#N)(C#N)C(=O)CF
|
| InChIKey |
RUYUWTRBPNOQCD-UHFFFAOYSA-N
|
| MW [Da] |
140.12
Automatically obtained from RDkit software. |
| LogP |
0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15581
Similarity: 0.7523
Similarity to MM15581
| Tanimoto metric | 0.7523 |
|---|---|
| Cosine metric | 0.8673 |
| Dice metric | 0.8586 |
| MW: | 126.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42671
Similarity: 0.6881
Similarity to MM42671
| Tanimoto metric | 0.6881 |
|---|---|
| Cosine metric | 0.8295 |
| Dice metric | 0.8152 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02202
Similarity: 0.6637
Similarity to MM02202
| Tanimoto metric | 0.6637 |
|---|---|
| Cosine metric | 0.8082 |
| Dice metric | 0.7979 |
| MW: | 133.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+87 more
