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DocumentationIdentifier: MM305428
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305428 |
| SMILES |
C=CCC(CC=C)C(=N)N
|
| InChIKey |
CQOGNUGWMSYCPW-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179859
Similarity: 0.9545
Similarity to MM179859
| Tanimoto metric | 0.9545 |
|---|---|
| Cosine metric | 0.977 |
| Dice metric | 0.9767 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305269
Similarity: 0.75
Similarity to MM305269
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8616 |
| Dice metric | 0.8571 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306842
Similarity: 0.75
Similarity to MM306842
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8616 |
| Dice metric | 0.8571 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+222 more
