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DocumentationIdentifier: MM242502
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242502 |
| SMILES |
CNC(C)(C)C(O)C=CF
|
| InChIKey |
LZGMBUVOYPCNQM-UHFFFAOYSA-N
|
| MW [Da] |
147.19
Automatically obtained from RDkit software. |
| LogP |
0.83
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 | 0.7379 |
|---|---|
| Cosine metric | 0.859 |
| Dice metric | 0.8492 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.7275 |
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| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
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Total active interactions
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| Tanimoto metric | 0.5654 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
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Total active interactions
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+367 more
