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DocumentationIdentifier: MM209694
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM209694 |
| SMILES |
CC(=CCN1CC1)CN
|
| InChIKey |
USPOOFOZKMITTP-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
0.21
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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MM456708
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| Tanimoto metric | 0.9157 |
|---|---|
| Cosine metric | 0.9569 |
| Dice metric | 0.956 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7763 |
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| Cosine metric | 0.8811 |
| Dice metric | 0.8741 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.27 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM456787
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Similarity to MM456787
| Tanimoto metric | 0.7238 |
|---|---|
| Cosine metric | 0.8508 |
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| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+137 more
