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DocumentationIdentifier: MM78622
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78622 |
| SMILES |
N#CCOC(=O)CNC=N
|
| InChIKey |
BEMQAJFZONGEOQ-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM356158
Similarity: 0.7
Similarity to MM356158
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8236 |
| Dice metric | 0.8235 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83300
Similarity: 0.6917
Similarity to MM83300
| Tanimoto metric | 0.6917 |
|---|---|
| Cosine metric | 0.8178 |
| Dice metric | 0.8177 |
| MW: | 142.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262765
Similarity: 0.6538
Similarity to MM262765
| Tanimoto metric | 0.6538 |
|---|---|
| Cosine metric | 0.7914 |
| Dice metric | 0.7907 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+49 more
