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DocumentationIdentifier: MM139896
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM139896 |
| SMILES |
N#CC(O)(CF)C(F)F
|
| InChIKey |
ZIJQKBFHMWZUCO-UHFFFAOYSA-N
|
| MW [Da] |
139.08
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM28677
Similarity: 0.7634
Similarity to MM28677
| Tanimoto metric | 0.7634 |
|---|---|
| Cosine metric | 0.8738 |
| Dice metric | 0.8659 |
| MW: | 121.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313492
Similarity: 0.7154
Similarity to MM313492
| Tanimoto metric | 0.7154 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.8341 |
| MW: | 153.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35125
Similarity: 0.6559
Similarity to MM35125
| Tanimoto metric | 0.6559 |
|---|---|
| Cosine metric | 0.8099 |
| Dice metric | 0.7922 |
| MW: | 121.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+85 more
