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DocumentationIdentifier: MM138157
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM138157 |
| SMILES |
CCOCC(C)(F)CC
|
| InChIKey |
KGSHJLFEXOWQER-UHFFFAOYSA-N
|
| MW [Da] |
134.19
Automatically obtained from RDkit software. |
| LogP |
2.16
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 | 0.9222 |
|---|---|
| Cosine metric | 0.9603 |
| Dice metric | 0.9595 |
| MW: | 148.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 2
Total passive interactions
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| LogP: | 2.55 |
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Total active interactions
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MM227801
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Similarity to MM227801
| Tanimoto metric | 0.8384 |
|---|---|
| Cosine metric | 0.9156 |
| Dice metric | 0.9121 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.55 |
||||
|---|---|---|---|---|---|
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Total active interactions
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