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DocumentationIdentifier: MM322107
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM322107 |
| SMILES |
C=CC(=C)C=CN(C)C=N
|
| InChIKey |
BKYLUKWHVYOREA-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.78
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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MM145619
Similarity: 0.8261
Similarity to MM145619
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM169997
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| Tanimoto metric | 0.7391 |
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| Cosine metric | 0.8597 |
| Dice metric | 0.85 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM321893
Similarity: 0.6937
Similarity to MM321893
| Tanimoto metric | 0.6937 |
|---|---|
| Cosine metric | 0.8193 |
| Dice metric | 0.8191 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+162 more
