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DocumentationIdentifier: MM26194
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM26194 |
| SMILES |
CC(CF)OC=O
|
| InChIKey |
PODAROBLFCQHRQ-UHFFFAOYSA-N
|
| MW [Da] |
106.1
Automatically obtained from RDkit software. |
| LogP |
0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM115975
Similarity: 0.8462
Similarity to MM115975
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 124.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103021
Similarity: 0.7333
Similarity to MM103021
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108128
Similarity: 0.7097
Similarity to MM108128
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8424 |
| Dice metric | 0.8302 |
| MW: | 124.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+188 more
