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DocumentationIdentifier: MM65948
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM65948 |
| SMILES |
CNC(=N)C(C)(C#N)CF
|
| InChIKey |
JCUBNANAZPBQOZ-UHFFFAOYSA-N
|
| MW [Da] |
143.17
Automatically obtained from RDkit software. |
| LogP |
0.68
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: 0.7619
Similarity to MM197293
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 129.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60775
Similarity: 0.7143
Similarity to MM60775
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 129.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68060
Similarity: 0.657
Similarity to MM68060
| Tanimoto metric | 0.657 |
|---|---|
| Cosine metric | 0.7934 |
| Dice metric | 0.793 |
| MW: | 143.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+61 more
