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DocumentationIdentifier: MM45537
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM45537 |
| SMILES |
CNC(=N)C(C#N)NC=N
|
| InChIKey |
GBAJTBPTCVUEAO-UHFFFAOYSA-N
|
| MW [Da] |
139.16
Automatically obtained from RDkit software. |
| LogP |
-0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM45266
Similarity: 0.7971
Similarity to MM45266
| Tanimoto metric | 0.7971 |
|---|---|
| Cosine metric | 0.8928 |
| Dice metric | 0.8871 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180010
Similarity: 0.7754
Similarity to MM180010
| Tanimoto metric | 0.7754 |
|---|---|
| Cosine metric | 0.8805 |
| Dice metric | 0.8735 |
| MW: | 125.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM394114
Similarity: 0.6835
Similarity to MM394114
| Tanimoto metric | 0.6835 |
|---|---|
| Cosine metric | 0.8126 |
| Dice metric | 0.812 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+82 more
