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DocumentationIdentifier: MM438120
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM438120 |
| SMILES |
CCC1CN1CC(C)CN
|
| InChIKey |
PTIMNFMOBVRIPZ-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
0.68
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 | 0.8203 |
|---|---|
| Cosine metric | 0.9015 |
| Dice metric | 0.9013 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8982 |
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| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.29 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Similarity to MM216562
| Tanimoto metric | 0.7899 |
|---|---|
| Cosine metric | 0.8888 |
| Dice metric | 0.8826 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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