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DocumentationIdentifier: MM388099
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388099 |
| SMILES |
C#CC(=O)C1NC1CC
|
| InChIKey |
NNWYXPGQDYSJGG-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
-0.06
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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MM381666
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| Tanimoto metric | 0.9451 |
|---|---|
| Cosine metric | 0.9721 |
| Dice metric | 0.9718 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM386284
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| Cosine metric | 0.9368 |
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| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
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| AI: | 0
Total active interactions
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MM395960
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| Tanimoto metric | 0.8314 |
|---|---|
| Cosine metric | 0.9118 |
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| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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