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DocumentationIdentifier: MM56982
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM56982 |
| SMILES |
N#CC(C#N)(C#N)C(=N)N
|
| InChIKey |
KXRYWWFXOBUZER-UHFFFAOYSA-N
|
| MW [Da] |
133.11
Automatically obtained from RDkit software. |
| LogP |
-0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM83196
Similarity: 0.7765
Similarity to MM83196
| Tanimoto metric | 0.7765 |
|---|---|
| Cosine metric | 0.8812 |
| Dice metric | 0.8742 |
| MW: | 111.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46877
Similarity: 0.6406
Similarity to MM46877
| Tanimoto metric | 0.6406 |
|---|---|
| Cosine metric | 0.7955 |
| Dice metric | 0.781 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40774
Similarity: 0.6336
Similarity to MM40774
| Tanimoto metric | 0.6336 |
|---|---|
| Cosine metric | 0.7926 |
| Dice metric | 0.7757 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+39 more
