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DocumentationIdentifier: MM281940
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281940 |
| SMILES |
C=CCC(=C)C=CNC=N
|
| InChIKey |
DXRWULVJHHWLIG-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.83
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 | 0.8372 |
|---|---|
| Cosine metric | 0.915 |
| Dice metric | 0.9114 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM374112
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| Tanimoto metric | 0.7396 |
|---|---|
| Cosine metric | 0.8507 |
| Dice metric | 0.8503 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM281790
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| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8372 |
| Dice metric | 0.8372 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+352 more
