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DocumentationIdentifier: MM90742
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90742 |
| SMILES |
C#CC(C)(C(=N)N)C(=N)N
|
| InChIKey |
JBRSVSGHDLQOCW-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM62232
Similarity: 0.7302
Similarity to MM62232
| Tanimoto metric | 0.7302 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.844 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90967
Similarity: 0.7232
Similarity to MM90967
| Tanimoto metric | 0.7232 |
|---|---|
| Cosine metric | 0.8504 |
| Dice metric | 0.8394 |
| MW: | 124.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91935
Similarity: 0.62
Similarity to MM91935
| Tanimoto metric | 0.62 |
|---|---|
| Cosine metric | 0.7678 |
| Dice metric | 0.7654 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+116 more
