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DocumentationIdentifier: MM220547
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM220547 |
| SMILES |
CC(F)(F)C#CC(F)(F)F
|
| InChIKey |
SYIRCHUNFWXKBZ-UHFFFAOYSA-N
|
| MW [Da] |
158.07
Automatically obtained from RDkit software. |
| LogP |
2.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130519
Similarity: 0.8571
Similarity to MM130519
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 140.08 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130515
Similarity: 0.8286
Similarity to MM130515
| Tanimoto metric | 0.8286 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9063 |
| MW: | 140.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM220546
Similarity: 0.7436
Similarity to MM220546
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8529 |
| MW: | 154.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+344 more
