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DocumentationIdentifier: MM38021
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM38021 |
| SMILES |
CN(C=N)C(C#N)C(=N)N
|
| InChIKey |
KCBIBOLJDUKKMY-UHFFFAOYSA-N
|
| MW [Da] |
139.16
Automatically obtained from RDkit software. |
| LogP |
-0.65
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: 0.7181
Similarity to MM180010
| Tanimoto metric | 0.7181 |
|---|---|
| Cosine metric | 0.8474 |
| Dice metric | 0.8359 |
| MW: | 125.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160273
Similarity: 0.6913
Similarity to MM160273
| Tanimoto metric | 0.6913 |
|---|---|
| Cosine metric | 0.8314 |
| Dice metric | 0.8175 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM394114
Similarity: 0.6294
Similarity to MM394114
| Tanimoto metric | 0.6294 |
|---|---|
| Cosine metric | 0.7748 |
| Dice metric | 0.7726 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+19 more
