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DocumentationIdentifier: MM223537
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223537 |
| SMILES |
CC(=N)NC(C)=CC(=N)N
|
| InChIKey |
ZBKZIJDLLGOIQP-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.41
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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MM136504
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| Tanimoto metric | 0.7293 |
|---|---|
| Cosine metric | 0.854 |
| Dice metric | 0.8435 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM267727
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| Tanimoto metric | 0.6513 |
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| Cosine metric | 0.7903 |
| Dice metric | 0.7888 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.28 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM96391
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| Tanimoto metric | 0.6275 |
|---|---|
| Cosine metric | 0.7729 |
| Dice metric | 0.7711 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 0.94 |
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| AI: | 0
Total active interactions
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+239 more
