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DocumentationIdentifier: MM132159
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM132159 |
| SMILES |
C=COC(=O)C(F)(F)F
|
| InChIKey |
ZBGRMWIREQJHPK-UHFFFAOYSA-N
|
| MW [Da] |
140.06
Automatically obtained from RDkit software. |
| LogP |
1.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM231505
Similarity: 0.8317
Similarity to MM231505
| Tanimoto metric | 0.8317 |
|---|---|
| Cosine metric | 0.912 |
| Dice metric | 0.9081 |
| MW: | 154.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108436
Similarity: 0.8095
Similarity to MM108436
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 122.07 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM162965
Similarity: 0.6733
Similarity to MM162965
| Tanimoto metric | 0.6733 |
|---|---|
| Cosine metric | 0.8047 |
| Dice metric | 0.8047 |
| MW: | 136.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+235 more
