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DocumentationIdentifier: MM100679
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM100679 |
| SMILES |
CNCCOC=O
|
| InChIKey |
DKELKQRWPDUKIP-UHFFFAOYSA-N
|
| MW [Da] |
103.12
Automatically obtained from RDkit software. |
| LogP |
-0.62
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 | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.28 |
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| AI: | 0
Total active interactions
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|---|---|
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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