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DocumentationIdentifier: MM131048
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM131048 |
| SMILES |
C#CC(C)(N)C(F)(F)F
|
| InChIKey |
SANSVBGHFSQAPO-UHFFFAOYSA-N
|
| MW [Da] |
137.1
Automatically obtained from RDkit software. |
| LogP |
0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM229867
Similarity: 0.875
Similarity to MM229867
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 147.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139961
Similarity: 0.6923
Similarity to MM139961
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8187 |
| Dice metric | 0.8182 |
| MW: | 129.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59217
Similarity: 0.6813
Similarity to MM59217
| Tanimoto metric | 0.6813 |
|---|---|
| Cosine metric | 0.8254 |
| Dice metric | 0.8105 |
| MW: | 123.08 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+121 more
