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DocumentationIdentifier: MM225277
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225277 |
| SMILES |
O=C(C#CC(F)(F)F)CF
|
| InChIKey |
KDQAKLRVVNZCHD-UHFFFAOYSA-N
|
| MW [Da] |
154.06
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
MM130543
Similarity: 0.8
Similarity to MM130543
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 136.07 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163670
Similarity: 0.6875
Similarity to MM163670
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8158 |
| Dice metric | 0.8148 |
| MW: | 136.07 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225338
Similarity: 0.6869
Similarity to MM225338
| Tanimoto metric | 0.6869 |
|---|---|
| Cosine metric | 0.8145 |
| Dice metric | 0.8144 |
| MW: | 146.07 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+222 more
