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DocumentationIdentifier: MM150095
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM150095 |
| SMILES |
C#CC(CF)CC(=N)N
|
| InChIKey |
NNFTUDPHJQLSKH-UHFFFAOYSA-N
|
| MW [Da] |
128.15
Automatically obtained from RDkit software. |
| LogP |
0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM229434
Similarity: 0.7698
Similarity to MM229434
| Tanimoto metric | 0.7698 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.87 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149883
Similarity: 0.6038
Similarity to MM149883
| Tanimoto metric | 0.6038 |
|---|---|
| Cosine metric | 0.7606 |
| Dice metric | 0.7529 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229441
Similarity: 0.5951
Similarity to MM229441
| Tanimoto metric | 0.5951 |
|---|---|
| Cosine metric | 0.7714 |
| Dice metric | 0.7462 |
| MW: | 143.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+182 more
