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DocumentationIdentifier: MM345756
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM345756 |
| SMILES |
OCC(CO)CC=C(F)F
|
| InChIKey |
WJGOOESTUOIJEB-UHFFFAOYSA-N
|
| MW [Da] |
152.14
Automatically obtained from RDkit software. |
| LogP |
0.76
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 | 0.8108 |
|---|---|
| Cosine metric | 0.9005 |
| Dice metric | 0.8955 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8578 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM372997
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| Tanimoto metric | 0.7253 |
|---|---|
| Cosine metric | 0.8421 |
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| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
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Total active interactions
|
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