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DocumentationIdentifier: MM216563
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM216563 |
| SMILES |
CCCCN1CC1CN
|
| InChIKey |
FSWAVVFJAHHFCX-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
0.43
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 | 0.9444 |
|---|---|
| Cosine metric | 0.9718 |
| Dice metric | 0.9714 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM127621
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| Tanimoto metric | 0.8431 |
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| Cosine metric | 0.9182 |
| Dice metric | 0.9149 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.04 |
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| AI: | 0
Total active interactions
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MM216564
Similarity: 0.789
Similarity to MM216564
| Tanimoto metric | 0.789 |
|---|---|
| Cosine metric | 0.883 |
| Dice metric | 0.8821 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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