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DocumentationIdentifier: MM245526
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245526 |
| SMILES |
C#CC(N)CC(N)C(=N)N
|
| InChIKey |
XWQGHUTYLGJOGE-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-1.4
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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MM133628
Similarity: 0.7442
Similarity to MM133628
| Tanimoto metric | 0.7442 |
|---|---|
| Cosine metric | 0.8627 |
| Dice metric | 0.8533 |
| MW: | 130.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7054 |
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| Cosine metric | 0.8399 |
| Dice metric | 0.8273 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Similarity to MM245168
| Tanimoto metric | 0.6906 |
|---|---|
| Cosine metric | 0.821 |
| Dice metric | 0.817 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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