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DocumentationIdentifier: MM418426
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM418426 |
| SMILES |
CC(C#CC#N)C1CN1C
|
| InChIKey |
JFWNDHKUFQNMQR-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196497
Similarity: 0.8512
Similarity to MM196497
| Tanimoto metric | 0.8512 |
|---|---|
| Cosine metric | 0.9226 |
| Dice metric | 0.9196 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM195649
Similarity: 0.6667
Similarity to MM195649
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM195204
Similarity: 0.6348
Similarity to MM195204
| Tanimoto metric | 0.6348 |
|---|---|
| Cosine metric | 0.7861 |
| Dice metric | 0.7766 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+122 more
