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DocumentationIdentifier: MM282918
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282918 |
| SMILES |
C#CCC#CC(=C)NC=N
|
| InChIKey |
ZPKWQYLPYOKBAX-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
MM158558
Similarity: 0.875
Similarity to MM158558
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282849
Similarity: 0.8095
Similarity to MM282849
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8948 |
| Dice metric | 0.8947 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282896
Similarity: 0.7925
Similarity to MM282896
| Tanimoto metric | 0.7925 |
|---|---|
| Cosine metric | 0.8843 |
| Dice metric | 0.8842 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+135 more
