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DocumentationIdentifier: MM141947
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM141947 |
| SMILES |
O=C(CF)CC(O)CF
|
| InChIKey |
XFPFBNCADPXSIF-UHFFFAOYSA-N
|
| MW [Da] |
138.11
Automatically obtained from RDkit software. |
| LogP |
0.25
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 | 0.7841 |
|---|---|
| Cosine metric | 0.8855 |
| Dice metric | 0.879 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.3 |
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Total active interactions
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| Tanimoto metric | 0.6822 |
|---|---|
| Cosine metric | 0.8259 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+417 more
