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DocumentationIdentifier: MM198836
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198836 |
| SMILES |
CCOCC(C#N)CO
|
| InChIKey |
UDFFYJSNQVNWOI-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
0.15
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 | 0.9143 |
|---|---|
| Cosine metric | 0.9562 |
| Dice metric | 0.9552 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9363 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.87 |
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Total active interactions
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| Tanimoto metric | 0.8533 |
|---|---|
| Cosine metric | 0.9238 |
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| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+511 more
