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DocumentationIdentifier: MM172794
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172794 |
| SMILES |
C=CCN(C)C(=N)C=C
|
| InChIKey |
MEKYHBFVGBQLNF-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
1.27
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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MM305485
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| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8462 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179910
Similarity: 0.7
Similarity to MM179910
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8244 |
| Dice metric | 0.8235 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM113375
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Similarity to MM113375
| Tanimoto metric | 0.6625 |
|---|---|
| Cosine metric | 0.8139 |
| Dice metric | 0.797 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+403 more
