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DocumentationIdentifier: MM228898
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228898 |
| SMILES |
C#CC(F)(F)C(F)(F)C#C
|
| InChIKey |
KJHISUDZYOEWNG-UHFFFAOYSA-N
|
| MW [Da] |
150.07
Automatically obtained from RDkit software. |
| LogP |
1.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM102608
Similarity: 0.75
Similarity to MM102608
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 122.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103306
Similarity: 0.6522
Similarity to MM103306
| Tanimoto metric | 0.6522 |
|---|---|
| Cosine metric | 0.8076 |
| Dice metric | 0.7895 |
| MW: | 126.05 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103142
Similarity: 0.6413
Similarity to MM103142
| Tanimoto metric | 0.6413 |
|---|---|
| Cosine metric | 0.8008 |
| Dice metric | 0.7815 |
| MW: | 114.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+138 more
