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DocumentationIdentifier: MM386902
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386902 |
| SMILES |
C=CC(=O)C1NC1(C)C#N
|
| InChIKey |
HBCFKNVQSVQLBY-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP | N/A |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM382272
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| Tanimoto metric | 0.7893 |
|---|---|
| Cosine metric | 0.8884 |
| Dice metric | 0.8822 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8324 |
| Dice metric | 0.8186 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.49 |
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| AI: | 0
Total active interactions
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MM378083
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| Tanimoto metric | 0.6821 |
|---|---|
| Cosine metric | 0.8259 |
| Dice metric | 0.811 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+24 more
