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DocumentationIdentifier: MM360180
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360180 |
| SMILES |
CNCCC(C)=CNC=N
|
| InChIKey |
FKUWQOIHTYLRDS-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM284913
Similarity: 0.7576
Similarity to MM284913
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8621 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385418
Similarity: 0.75
Similarity to MM385418
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8572 |
| Dice metric | 0.8571 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360182
Similarity: 0.6796
Similarity to MM360182
| Tanimoto metric | 0.6796 |
|---|---|
| Cosine metric | 0.8093 |
| Dice metric | 0.8092 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+698 more
