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DocumentationIdentifier: MM68060
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM68060 |
| SMILES |
CN(C)C(=N)C(C#N)CF
|
| InChIKey |
ARUMQAVQXIWROC-UHFFFAOYSA-N
|
| MW [Da] |
143.17
Automatically obtained from RDkit software. |
| LogP |
0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197293
Similarity: 0.8116
Similarity to MM197293
| Tanimoto metric | 0.8116 |
|---|---|
| Cosine metric | 0.9009 |
| Dice metric | 0.896 |
| MW: | 129.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91468
Similarity: 0.6884
Similarity to MM91468
| Tanimoto metric | 0.6884 |
|---|---|
| Cosine metric | 0.8297 |
| Dice metric | 0.8155 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65948
Similarity: 0.657
Similarity to MM65948
| Tanimoto metric | 0.657 |
|---|---|
| Cosine metric | 0.7934 |
| Dice metric | 0.793 |
| MW: | 143.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+139 more
