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DocumentationIdentifier: MM304845
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304845 |
| SMILES |
C#CC=C(C#CC)NC=N
|
| InChIKey |
PYMGUPOYPKOIBK-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178762
Similarity: 0.8158
Similarity to MM178762
| Tanimoto metric | 0.8158 |
|---|---|
| Cosine metric | 0.9032 |
| Dice metric | 0.8986 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387210
Similarity: 0.7984
Similarity to MM387210
| Tanimoto metric | 0.7984 |
|---|---|
| Cosine metric | 0.8881 |
| Dice metric | 0.8879 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72786
Similarity: 0.7807
Similarity to MM72786
| Tanimoto metric | 0.7807 |
|---|---|
| Cosine metric | 0.8836 |
| Dice metric | 0.8768 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+135 more
