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DocumentationIdentifier: MM175462
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM175462 |
| SMILES |
O=C(CO)C(F)=CCF
|
| InChIKey |
XZPORILIKLQLLR-UHFFFAOYSA-N
|
| MW [Da] |
136.1
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM35956
Similarity: 0.7727
Similarity to MM35956
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.879 |
| Dice metric | 0.8718 |
| MW: | 118.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108875
Similarity: 0.7
Similarity to MM108875
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 120.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175461
Similarity: 0.6744
Similarity to MM175461
| Tanimoto metric | 0.6744 |
|---|---|
| Cosine metric | 0.8057 |
| Dice metric | 0.8056 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+367 more
