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DocumentationIdentifier: MM397057
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM397057 |
| SMILES |
C=CC(=CNC=N)C(=C)C
|
| InChIKey |
FLQYINSTFKZPSJ-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM396952
Similarity: 0.7719
Similarity to MM396952
| Tanimoto metric | 0.7719 |
|---|---|
| Cosine metric | 0.8713 |
| Dice metric | 0.8713 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295337
Similarity: 0.6957
Similarity to MM295337
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.821 |
| Dice metric | 0.8205 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360723
Similarity: 0.6829
Similarity to MM360723
| Tanimoto metric | 0.6829 |
|---|---|
| Cosine metric | 0.8118 |
| Dice metric | 0.8116 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+60 more
