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DocumentationIdentifier: MM156728
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156728 |
| SMILES |
CNCC(C)OC=CF
|
| InChIKey |
ZPDJGWVUAFYFJR-UHFFFAOYSA-N
|
| MW [Da] |
133.17
Automatically obtained from RDkit software. |
| LogP |
1.05
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 | 0.7723 |
|---|---|
| Cosine metric | 0.8788 |
| Dice metric | 0.8715 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8623 |
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| MW: | 119.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.79 |
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| AI: | 0
Total active interactions
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MM253181
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| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8578 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+544 more
