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DocumentationIdentifier: MM108827
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM108827 |
| SMILES |
CC(=CC=O)C(F)F
|
| InChIKey |
LZJRULHJWQXMTJ-UHFFFAOYSA-N
|
| MW [Da] |
120.1
Automatically obtained from RDkit software. |
| LogP |
1.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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Similarity to MM132306
| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.9005 |
| Dice metric | 0.8955 |
| MW: | 138.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7317 |
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| Cosine metric | 0.8554 |
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| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM26851
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Similarity to MM26851
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 102.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+241 more
