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DocumentationIdentifier: MM228560
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228560 |
| SMILES |
CC(F)(C#N)C#CC(F)F
|
| InChIKey |
MZPHHFXHRHSKCD-UHFFFAOYSA-N
|
| MW [Da] |
147.1
Automatically obtained from RDkit software. |
| LogP |
1.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139084
Similarity: 0.8235
Similarity to MM139084
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 129.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312141
Similarity: 0.7456
Similarity to MM312141
| Tanimoto metric | 0.7456 |
|---|---|
| Cosine metric | 0.8545 |
| Dice metric | 0.8543 |
| MW: | 140.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228558
Similarity: 0.7227
Similarity to MM228558
| Tanimoto metric | 0.7227 |
|---|---|
| Cosine metric | 0.839 |
| Dice metric | 0.839 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+185 more
