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DocumentationIdentifier: MM183298
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM183298 |
| SMILES |
CC(F)(F)C(=O)C(F)C=O
|
| InChIKey |
SUPBYPUHHMUHJX-UHFFFAOYSA-N
|
| MW [Da] |
154.09
Automatically obtained from RDkit software. |
| LogP |
0.75
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 | 0.6846 |
|---|---|
| Cosine metric | 0.8151 |
| Dice metric | 0.8127 |
| MW: | 158.05 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| MW: | 140.06 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.36 |
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Total active interactions
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Similarity to MM137898
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|---|---|
| Cosine metric | 0.7777 |
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| MW: | 140.06 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+44 more
