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DocumentationIdentifier: MM70024
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM70024 |
| SMILES |
N=C(N)C#CC#CC(=N)N
|
| InChIKey |
CEZYNZVPSIMTIY-UHFFFAOYSA-N
|
| MW [Da] |
134.14
Automatically obtained from RDkit software. |
| LogP |
-1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM65990
Similarity: 0.9636
Similarity to MM65990
| Tanimoto metric | 0.9636 |
|---|---|
| Cosine metric | 0.9816 |
| Dice metric | 0.9815 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106516
Similarity: 0.8909
Similarity to MM106516
| Tanimoto metric | 0.8909 |
|---|---|
| Cosine metric | 0.9439 |
| Dice metric | 0.9423 |
| MW: | 106.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290162
Similarity: 0.791
Similarity to MM290162
| Tanimoto metric | 0.791 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.8833 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+106 more
