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DocumentationIdentifier: MM376743
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376743 |
| SMILES |
CCCN(C=N)C(C)C#N
|
| InChIKey |
KFQXFYDZLPQKMY-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.22
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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MM64644
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| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6667 |
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| Cosine metric | 0.8165 |
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|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.83 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM349598
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| Tanimoto metric | 0.6644 |
|---|---|
| Cosine metric | 0.8033 |
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| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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