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DocumentationIdentifier: MM109061
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM109061 |
| SMILES |
CC(=O)C(C)C(F)F
|
| InChIKey |
KDXYUPVYNCWSST-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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| Tanimoto metric | 0.7381 |
|---|---|
| Cosine metric | 0.8591 |
| Dice metric | 0.8493 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.7097 |
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| Cosine metric | 0.8424 |
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| MW: | 104.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.18 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM116955
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Similarity to MM116955
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8243 |
| Dice metric | 0.8235 |
| MW: | 122.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+310 more
