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DocumentationIdentifier: MM389955
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM389955 |
| SMILES |
N#CC1NC1C(=O)C=CN
|
| InChIKey |
LKTIIKQXESKTER-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-1.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM378083
Similarity: 0.8341
Similarity to MM378083
| Tanimoto metric | 0.8341 |
|---|---|
| Cosine metric | 0.9133 |
| Dice metric | 0.9095 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM419422
Similarity: 0.786
Similarity to MM419422
| Tanimoto metric | 0.786 |
|---|---|
| Cosine metric | 0.8866 |
| Dice metric | 0.8802 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350035
Similarity: 0.6962
Similarity to MM350035
| Tanimoto metric | 0.6962 |
|---|---|
| Cosine metric | 0.8215 |
| Dice metric | 0.8209 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+33 more
