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DocumentationIdentifier: MM248517
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM248517 |
| SMILES |
CC(OC(=O)CO)=C(F)F
|
| InChIKey |
NJESRWQOHMWJQL-UHFFFAOYSA-N
|
| MW [Da] |
152.1
Automatically obtained from RDkit software. |
| LogP |
0.65
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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MM43394
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Similarity to MM43394
| Tanimoto metric | 0.824 |
|---|---|
| Cosine metric | 0.9077 |
| Dice metric | 0.9035 |
| MW: | 134.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM134432
Similarity: 0.784
Similarity to MM134432
| Tanimoto metric | 0.784 |
|---|---|
| Cosine metric | 0.8854 |
| Dice metric | 0.8789 |
| MW: | 136.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM276277
Similarity: 0.6883
Similarity to MM276277
| Tanimoto metric | 0.6883 |
|---|---|
| Cosine metric | 0.816 |
| Dice metric | 0.8154 |
| MW: | 152.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+295 more
