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DocumentationIdentifier: MM448010
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM448010 |
| SMILES |
CN=CNCCNC=NC
|
| InChIKey |
XWCZUIBCOFHZRB-UHFFFAOYSA-N
|
| MW [Da] |
142.21
Automatically obtained from RDkit software. |
| LogP |
-0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM100755
Similarity: 0.825
Similarity to MM100755
| Tanimoto metric | 0.825 |
|---|---|
| Cosine metric | 0.9083 |
| Dice metric | 0.9041 |
| MW: | 101.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213594
Similarity: 0.7917
Similarity to MM213594
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8859 |
| Dice metric | 0.8837 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125687
Similarity: 0.75
Similarity to MM125687
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+247 more
