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DocumentationIdentifier: MM165998
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM165998 |
| SMILES |
CCCCNC(C)C=O
|
| InChIKey |
BOKKBJQMTQNDCT-UHFFFAOYSA-N
|
| MW [Da] |
129.2
Automatically obtained from RDkit software. |
| LogP |
0.96
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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MM27900
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| Tanimoto metric | 0.9104 |
|---|---|
| Cosine metric | 0.9542 |
| Dice metric | 0.9531 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8133 |
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| Cosine metric | 0.9018 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.91 |
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Total active interactions
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MM112802
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| Tanimoto metric | 0.8033 |
|---|---|
| Cosine metric | 0.8963 |
| Dice metric | 0.8909 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+569 more
