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DocumentationIdentifier: MM237713
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM237713 |
| SMILES |
CC(C#CC#N)CC(=N)N
|
| InChIKey |
JEUFZIFWYARZAB-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM237692
Similarity: 0.7345
Similarity to MM237692
| Tanimoto metric | 0.7345 |
|---|---|
| Cosine metric | 0.8476 |
| Dice metric | 0.8469 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264706
Similarity: 0.68
Similarity to MM264706
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8099 |
| Dice metric | 0.8095 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305331
Similarity: 0.6721
Similarity to MM305331
| Tanimoto metric | 0.6721 |
|---|---|
| Cosine metric | 0.8039 |
| Dice metric | 0.8039 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+111 more
