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DocumentationIdentifier: MM152048
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM152048 |
| SMILES |
CC1NC1C(C)(C)C#N
|
| InChIKey |
PRGIRXAUBSKHNG-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
0.9
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 | 0.772 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.8713 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.51 |
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Total active interactions
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 0.08 |
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Total active interactions
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+180 more
