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DocumentationIdentifier: MM231768
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231768 |
| SMILES |
CC(F)(F)C(=O)C#CCF
|
| InChIKey |
KWWKRTYCVQNIIW-UHFFFAOYSA-N
|
| MW [Da] |
150.1
Automatically obtained from RDkit software. |
| LogP |
1.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132240
Similarity: 0.8387
Similarity to MM132240
| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9158 |
| Dice metric | 0.9123 |
| MW: | 132.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231767
Similarity: 0.7941
Similarity to MM231767
| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8854 |
| Dice metric | 0.8852 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231793
Similarity: 0.7324
Similarity to MM231793
| Tanimoto metric | 0.7324 |
|---|---|
| Cosine metric | 0.8456 |
| Dice metric | 0.8455 |
| MW: | 146.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+176 more
