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DocumentationIdentifier: MM135674
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM135674 |
| SMILES |
C#CCC(=C)NC(C)=N
|
| InChIKey |
AFFYZJVBUXHMKK-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
1.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM263859
Similarity: 0.7967
Similarity to MM263859
| Tanimoto metric | 0.7967 |
|---|---|
| Cosine metric | 0.8926 |
| Dice metric | 0.8869 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263530
Similarity: 0.7424
Similarity to MM263530
| Tanimoto metric | 0.7424 |
|---|---|
| Cosine metric | 0.8616 |
| Dice metric | 0.8522 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269552
Similarity: 0.7259
Similarity to MM269552
| Tanimoto metric | 0.7259 |
|---|---|
| Cosine metric | 0.852 |
| Dice metric | 0.8412 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+248 more
