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DocumentationIdentifier: MM343362
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM343362 |
| SMILES |
CNC(C=CC(C)N)CN
|
| InChIKey |
PLONDLXBIGMDFO-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
-0.56
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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MM321026
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| Tanimoto metric | 0.9022 |
|---|---|
| Cosine metric | 0.9493 |
| Dice metric | 0.9486 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9222 |
| Dice metric | 0.9192 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.94 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8298 |
|---|---|
| Cosine metric | 0.9085 |
| Dice metric | 0.907 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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