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DocumentationIdentifier: MM220787
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM220787 |
| SMILES |
COC(C(C)=O)C(C)(C)F
|
| InChIKey |
LVVHSTQHFHZZCA-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.34
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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MM181019
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| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.8411 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM223770
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Similarity to MM223770
| Tanimoto metric | 0.5972 |
|---|---|
| Cosine metric | 0.7483 |
| Dice metric | 0.7478 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+112 more
