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DocumentationIdentifier: MM53555
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM53555 |
| SMILES |
C#CC(C=O)C(=O)CF
|
| InChIKey |
SDYGTHTZGIKKSJ-UHFFFAOYSA-N
|
| MW [Da] |
128.1
Automatically obtained from RDkit software. |
| LogP |
-0.03
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 | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Total passive interactions
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| LogP: | 0.02 |
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Total active interactions
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|---|---|
| Cosine metric | 0.7477 |
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| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
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+75 more
