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DocumentationIdentifier: MM364887
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM364887 |
| SMILES |
C=CC(C)C=CNC=NC
|
| InChIKey |
SQFHMLYYXTUKOP-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.57
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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MM169686
Similarity: 0.8592
Similarity to MM169686
| Tanimoto metric | 0.8592 |
|---|---|
| Cosine metric | 0.9269 |
| Dice metric | 0.9242 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM426039
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| Tanimoto metric | 0.8133 |
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| Cosine metric | 0.8979 |
| Dice metric | 0.8971 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM154248
Similarity: 0.8028
Similarity to MM154248
| Tanimoto metric | 0.8028 |
|---|---|
| Cosine metric | 0.896 |
| Dice metric | 0.8906 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+408 more
