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DocumentationIdentifier: MM02672
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02672 |
| SMILES |
COC(C)C(F)C=O
|
| InChIKey |
LHFNHSFBFFYCAC-UHFFFAOYSA-N
|
| MW [Da] |
120.12
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172119
Similarity: 0.7885
Similarity to MM172119
| Tanimoto metric | 0.7885 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8817 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM172199
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| Tanimoto metric | 0.7523 |
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| Cosine metric | 0.8673 |
| Dice metric | 0.8586 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM01673
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Similarity to MM01673
| Tanimoto metric | 0.7321 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8454 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+406 more
