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DocumentationIdentifier: MM394114
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM394114 |
| SMILES |
CN=CNC(C#N)C(=N)N
|
| InChIKey |
TWPUAZLXJCGPSJ-UHFFFAOYSA-N
|
| MW [Da] |
139.16
Automatically obtained from RDkit software. |
| LogP |
-0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180010
Similarity: 0.8359
Similarity to MM180010
| Tanimoto metric | 0.8359 |
|---|---|
| Cosine metric | 0.9143 |
| Dice metric | 0.9106 |
| MW: | 125.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162870
Similarity: 0.6875
Similarity to MM162870
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8292 |
| Dice metric | 0.8148 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45537
Similarity: 0.6835
Similarity to MM45537
| Tanimoto metric | 0.6835 |
|---|---|
| Cosine metric | 0.8126 |
| Dice metric | 0.812 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+11 more
