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DocumentationIdentifier: MM142079
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142079 |
| SMILES |
CCC(C)OC(=O)CF
|
| InChIKey |
BCPLWNWBVHBKHJ-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
1.3
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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MM328759
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| Tanimoto metric | 0.9082 |
|---|---|
| Cosine metric | 0.953 |
| Dice metric | 0.9519 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.25 |
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Total active interactions
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MM245002
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|---|---|
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+501 more
