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DocumentationIdentifier: MM288163
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM288163 |
| SMILES |
C#CCN=CNCC(=N)N
|
| InChIKey |
KZVXRPZTGLPPRA-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM105883
Similarity: 0.7027
Similarity to MM105883
| Tanimoto metric | 0.7027 |
|---|---|
| Cosine metric | 0.8383 |
| Dice metric | 0.8254 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452518
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| Tanimoto metric | 0.6429 |
|---|---|
| Cosine metric | 0.7847 |
| Dice metric | 0.7826 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM251906
Similarity: 0.5688
Similarity to MM251906
| Tanimoto metric | 0.5688 |
|---|---|
| Cosine metric | 0.7318 |
| Dice metric | 0.7251 |
| MW: | 142.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+85 more
