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DocumentationIdentifier: MM77442
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77442 |
| SMILES |
N#CC=C(CC#N)NC=N
|
| InChIKey |
DDVJXBRCZLRJCK-UHFFFAOYSA-N
|
| MW [Da] |
134.14
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM376869
Similarity: 0.7239
Similarity to MM376869
| Tanimoto metric | 0.7239 |
|---|---|
| Cosine metric | 0.8398 |
| Dice metric | 0.8398 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306590
Similarity: 0.7029
Similarity to MM306590
| Tanimoto metric | 0.7029 |
|---|---|
| Cosine metric | 0.8257 |
| Dice metric | 0.8255 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304407
Similarity: 0.6783
Similarity to MM304407
| Tanimoto metric | 0.6783 |
|---|---|
| Cosine metric | 0.809 |
| Dice metric | 0.8083 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+53 more
