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DocumentationIdentifier: MM112611
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM112611 |
| SMILES |
CCCOC(C)CN
|
| InChIKey |
ZYSOCEMLXONWAC-UHFFFAOYSA-N
|
| MW [Da] |
117.19
Automatically obtained from RDkit software. |
| LogP |
0.76
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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MM198596
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Similarity to MM198596
| Tanimoto metric | 0.8772 |
|---|---|
| Cosine metric | 0.9366 |
| Dice metric | 0.9346 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM144080
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| Tanimoto metric | 0.8065 |
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| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM165636
Similarity: 0.8065
Similarity to MM165636
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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