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DocumentationIdentifier: MM112702
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM112702 |
| SMILES |
O=COCC(F)CF
|
| InChIKey |
PXSISFHQXCYKOS-UHFFFAOYSA-N
|
| MW [Da] |
124.09
Automatically obtained from RDkit software. |
| LogP |
0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM25825
Similarity: 0.7288
Similarity to MM25825
| Tanimoto metric | 0.7288 |
|---|---|
| Cosine metric | 0.8537 |
| Dice metric | 0.8431 |
| MW: | 106.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162071
Similarity: 0.6782
Similarity to MM162071
| Tanimoto metric | 0.6782 |
|---|---|
| Cosine metric | 0.8235 |
| Dice metric | 0.8082 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138268
Similarity: 0.6705
Similarity to MM138268
| Tanimoto metric | 0.6705 |
|---|---|
| Cosine metric | 0.8188 |
| Dice metric | 0.8027 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+308 more
