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DocumentationIdentifier: MM234035
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234035 |
| SMILES |
CC(C)(CCO)OC=CF
|
| InChIKey |
ILUPFDMEFMTJJF-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.6
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 | 0.7849 |
|---|---|
| Cosine metric | 0.886 |
| Dice metric | 0.8795 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.93 |
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Total active interactions
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|---|---|
| Cosine metric | 0.8163 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | 3.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+468 more
