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DocumentationIdentifier: MM179766
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179766 |
| SMILES |
C#CCC(C=O)C(F)F
|
| InChIKey |
NXQWYFOOARAKLT-UHFFFAOYSA-N
|
| MW [Da] |
132.11
Automatically obtained from RDkit software. |
| LogP |
1.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM116117
Similarity: 0.75
Similarity to MM116117
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116955
Similarity: 0.7125
Similarity to MM116955
| Tanimoto metric | 0.7125 |
|---|---|
| Cosine metric | 0.8441 |
| Dice metric | 0.8321 |
| MW: | 122.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108137
Similarity: 0.65
Similarity to MM108137
| Tanimoto metric | 0.65 |
|---|---|
| Cosine metric | 0.8062 |
| Dice metric | 0.7879 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+259 more
