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DocumentationIdentifier: MM67729
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67729 |
| SMILES |
C#CC(C)(C#C)C(=N)N
|
| InChIKey |
LBOOJYKYMHWOKO-UHFFFAOYSA-N
|
| MW [Da] |
120.16
Automatically obtained from RDkit software. |
| LogP |
0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103365
Similarity: 0.8125
Similarity to MM103365
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62232
Similarity: 0.7547
Similarity to MM62232
| Tanimoto metric | 0.7547 |
|---|---|
| Cosine metric | 0.8687 |
| Dice metric | 0.8602 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67716
Similarity: 0.725
Similarity to MM67716
| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8515 |
| Dice metric | 0.8406 |
| MW: | 106.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+223 more
