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DocumentationIdentifier: MM103282
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM103282 |
| SMILES |
CC(C)(C=O)C(F)F
|
| InChIKey |
WVEOZPUYGLCVIR-UHFFFAOYSA-N
|
| MW [Da] |
122.11
Automatically obtained from RDkit software. |
| LogP |
1.48
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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MM131030
Similarity: 0.7778
Similarity to MM131030
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 140.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM98428
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| Tanimoto metric | 0.7551 |
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| Cosine metric | 0.869 |
| Dice metric | 0.8605 |
| MW: | 108.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM313622
Similarity: 0.7538
Similarity to MM313622
| Tanimoto metric | 0.7538 |
|---|---|
| Cosine metric | 0.8682 |
| Dice metric | 0.8596 |
| MW: | 150.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+231 more
