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DocumentationIdentifier: MM17455
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM17455 |
| SMILES |
CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1
|
| InChIKey |
WPSYTTKBGAZSCX-UHFFFAOYSA-N
|
| MW [Da] |
338.99
Automatically obtained from RDkit software. |
| LogP |
6.49
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 | 0.5674 |
|---|---|
| Cosine metric | 0.724 |
| Dice metric | 0.724 |
| MW: | 292.44 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 3.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 1
Total passive interactions
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| LogP: | 2.23 |
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| AI: | 0
Total active interactions
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| Cosine metric | 0.7071 |
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.97 |
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| AI: | 0
Total active interactions
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+15 more
