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DocumentationIdentifier: MM107157
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM107157 |
| SMILES |
CNCC(N)CCN
|
| InChIKey |
MXBWVLFJCDHLKQ-UHFFFAOYSA-N
|
| MW [Da] |
117.2
Automatically obtained from RDkit software. |
| LogP |
-1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM112544
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| Tanimoto metric | 0.8113 |
|---|---|
| Cosine metric | 0.896 |
| Dice metric | 0.8958 |
| MW: | 117.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.869 |
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| MW: | 102.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.06 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7538 |
|---|---|
| Cosine metric | 0.8682 |
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| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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