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DocumentationIdentifier: MM160770
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160770 |
| SMILES |
C=C(C(F)F)C(O)CN
|
| InChIKey |
FDDJNRAUIWMGRS-UHFFFAOYSA-N
|
| MW [Da] |
137.13
Automatically obtained from RDkit software. |
| LogP |
0.13
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 | 0.8473 |
|---|---|
| Cosine metric | 0.9205 |
| Dice metric | 0.9174 |
| MW: | 155.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8751 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.17 |
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Total active interactions
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 0.52 |
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