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DocumentationIdentifier: MM395656
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM395656 |
| SMILES |
C=CN(C=CCN)C(C)=O
|
| InChIKey |
SQJJMWCXXIBNRU-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.45
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 | 0.7699 |
|---|---|
| Cosine metric | 0.8735 |
| Dice metric | 0.87 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7373 |
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| Cosine metric | 0.8505 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.2 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM63796
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Similarity to MM63796
| Tanimoto metric | 0.6692 |
|---|---|
| Cosine metric | 0.8019 |
| Dice metric | 0.8018 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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