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DocumentationIdentifier: MM67057
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67057 |
| SMILES |
C=C(C)CN(C)CCN
|
| InChIKey |
JJUZTHOHCOFTOE-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
0.45
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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MM68687
Similarity: 0.9024
Similarity to MM68687
| Tanimoto metric | 0.9024 |
|---|---|
| Cosine metric | 0.95 |
| Dice metric | 0.9487 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM79709
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| Tanimoto metric | 0.8605 |
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| Cosine metric | 0.9276 |
| Dice metric | 0.925 |
| MW: | 142.25 |
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|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.71 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM264975
Similarity: 0.7629
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| Tanimoto metric | 0.7629 |
|---|---|
| Cosine metric | 0.8734 |
| Dice metric | 0.8655 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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