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DocumentationIdentifier: MM236494
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236494 |
| SMILES |
COCCN(C)CC(C)O
|
| InChIKey |
MOOXQLARACJANB-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-0.05
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 | 0.7952 |
|---|---|
| Cosine metric | 0.8917 |
| Dice metric | 0.8859 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM155722
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| Tanimoto metric | 0.7711 |
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| Cosine metric | 0.8781 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.97 |
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MM223093
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Similarity to MM223093
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8598 |
| Dice metric | 0.8571 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+533 more
