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DocumentationIdentifier: MM229873
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229873 |
| SMILES |
C#CC(F)(C#C)C(F)(F)F
|
| InChIKey |
TWCJCNSIORCRDH-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
MM139966
Similarity: 0.8182
Similarity to MM139966
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 132.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229862
Similarity: 0.589
Similarity to MM229862
| Tanimoto metric | 0.589 |
|---|---|
| Cosine metric | 0.7495 |
| Dice metric | 0.7414 |
| MW: | 154.06 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102610
Similarity: 0.5859
Similarity to MM102610
| Tanimoto metric | 0.5859 |
|---|---|
| Cosine metric | 0.7654 |
| Dice metric | 0.7389 |
| MW: | 126.05 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+96 more
