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DocumentationIdentifier: MM52647
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM52647 |
| SMILES |
CC(C#N)C(C#N)NC=N
|
| InChIKey |
GJUWIAWEFGLAFV-UHFFFAOYSA-N
|
| MW [Da] |
136.16
Automatically obtained from RDkit software. |
| LogP |
0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53984
Similarity: 0.7094
Similarity to MM53984
| Tanimoto metric | 0.7094 |
|---|---|
| Cosine metric | 0.8423 |
| Dice metric | 0.83 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49893
Similarity: 0.669
Similarity to MM49893
| Tanimoto metric | 0.669 |
|---|---|
| Cosine metric | 0.8018 |
| Dice metric | 0.8017 |
| MW: | 136.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65412
Similarity: 0.6418
Similarity to MM65412
| Tanimoto metric | 0.6418 |
|---|---|
| Cosine metric | 0.7834 |
| Dice metric | 0.7818 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+122 more
