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DocumentationIdentifier: MM404031
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404031 |
| SMILES |
CCCCCC(C#N)C#N
|
| InChIKey |
HMPREYSQSBAVPJ-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
2.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199159
Similarity: 0.8846
Similarity to MM199159
| Tanimoto metric | 0.8846 |
|---|---|
| Cosine metric | 0.9405 |
| Dice metric | 0.9388 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165912
Similarity: 0.8462
Similarity to MM165912
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM340175
Similarity: 0.8214
Similarity to MM340175
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9021 |
| Dice metric | 0.902 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+228 more
