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DocumentationIdentifier: MM262326
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262326 |
| SMILES |
C#CC(=N)NC(C)CCN
|
| InChIKey |
MQGOWXKOWNUGQO-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.08
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 | 0.8073 |
|---|---|
| Cosine metric | 0.8985 |
| Dice metric | 0.8934 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 2
Total passive interactions
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| LogP: | 0.31 |
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|---|---|
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.38 |
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+205 more
