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DocumentationIdentifier: MM341122
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM341122 |
| SMILES |
CN(C=N)CC1(CN)CN1
|
| InChIKey |
GQEJBNNOAQMUAC-UHFFFAOYSA-N
|
| MW [Da] |
142.21
Automatically obtained from RDkit software. |
| LogP |
-1.17
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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MM149281
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| Tanimoto metric | 0.8609 |
|---|---|
| Cosine metric | 0.9279 |
| Dice metric | 0.9253 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM203000
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| Tanimoto metric | 0.7285 |
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| Cosine metric | 0.8535 |
| Dice metric | 0.8429 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.52 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM256828
Similarity: 0.7027
Similarity to MM256828
| Tanimoto metric | 0.7027 |
|---|---|
| Cosine metric | 0.8261 |
| Dice metric | 0.8254 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+81 more
