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DocumentationIdentifier: MM202878
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM202878 |
| SMILES |
CCNCC1(CC)CN1
|
| InChIKey |
AOPXURDHNCEKSL-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
0.35
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 | 0.9343 |
|---|---|
| Cosine metric | 0.9666 |
| Dice metric | 0.966 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.71 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM343640
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| Tanimoto metric | 0.8951 |
|---|---|
| Cosine metric | 0.9461 |
| Dice metric | 0.9446 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+275 more
