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DocumentationIdentifier: MM270630
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM270630 |
| SMILES |
C#CC(=O)C(F)=CC(N)=O
|
| InChIKey |
ONJNYDWCSZJCKD-UHFFFAOYSA-N
|
| MW [Da] |
141.1
Automatically obtained from RDkit software. |
| LogP |
-0.47
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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MM175680
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| Tanimoto metric | 0.6792 |
|---|---|
| Cosine metric | 0.8242 |
| Dice metric | 0.809 |
| MW: | 126.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM270564
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| Tanimoto metric | 0.6073 |
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| Cosine metric | 0.7562 |
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| MW: | 149.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
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| AI: | 0
Total active interactions
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MM355181
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| Tanimoto metric | 0.5528 |
|---|---|
| Cosine metric | 0.7123 |
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| MW: | 144.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+67 more
