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DocumentationIdentifier: MM139954
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM139954 |
| SMILES |
C#CC(F)(C=O)C(F)F
|
| InChIKey |
HMBGWOORJBHRBX-UHFFFAOYSA-N
|
| MW [Da] |
136.07
Automatically obtained from RDkit software. |
| LogP |
0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM229862
Similarity: 0.8271
Similarity to MM229862
| Tanimoto metric | 0.8271 |
|---|---|
| Cosine metric | 0.9094 |
| Dice metric | 0.9053 |
| MW: | 154.06 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229860
Similarity: 0.6358
Similarity to MM229860
| Tanimoto metric | 0.6358 |
|---|---|
| Cosine metric | 0.7974 |
| Dice metric | 0.7774 |
| MW: | 150.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139966
Similarity: 0.5528
Similarity to MM139966
| Tanimoto metric | 0.5528 |
|---|---|
| Cosine metric | 0.7204 |
| Dice metric | 0.712 |
| MW: | 132.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+131 more
