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DocumentationIdentifier: MM77215
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77215 |
| SMILES |
C=CN(C=N)C=CC#N
|
| InChIKey |
AUIZDKNWQPURAF-UHFFFAOYSA-N
|
| MW [Da] |
121.14
Automatically obtained from RDkit software. |
| LogP |
1.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM94511
Similarity: 0.7746
Similarity to MM94511
| Tanimoto metric | 0.7746 |
|---|---|
| Cosine metric | 0.8801 |
| Dice metric | 0.873 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200790
Similarity: 0.5909
Similarity to MM200790
| Tanimoto metric | 0.5909 |
|---|---|
| Cosine metric | 0.7429 |
| Dice metric | 0.7429 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200833
Similarity: 0.5862
Similarity to MM200833
| Tanimoto metric | 0.5862 |
|---|---|
| Cosine metric | 0.7394 |
| Dice metric | 0.7391 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+95 more
