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DocumentationIdentifier: MM440515
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM440515 |
| SMILES |
CN1CC1CC(C#N)C#N
|
| InChIKey |
YYUNYRDODKWGLU-UHFFFAOYSA-N
|
| MW [Da] |
135.17
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 | 0.9313 |
|---|---|
| Cosine metric | 0.965 |
| Dice metric | 0.9644 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Total passive interactions
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| LogP: | 1.24 |
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Total active interactions
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| Tanimoto metric | 0.7593 |
|---|---|
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||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+49 more
