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DocumentationIdentifier: MM109354
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM109354 |
| SMILES |
CNCC1(C)NC1C
|
| InChIKey |
DZWNUGITJIWMRJ-UHFFFAOYSA-N
|
| MW [Da] |
114.19
Automatically obtained from RDkit software. |
| LogP |
-0.04
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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MM164745
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| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8898 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
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| AI: | 0
Total active interactions
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MM302068
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| Tanimoto metric | 0.7862 |
|---|---|
| Cosine metric | 0.8867 |
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| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.74 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+231 more
