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DocumentationIdentifier: MM360532
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360532 |
| SMILES |
CC(=CC=CF)CNC=N
|
| InChIKey |
NHPNCTZEHICIPK-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
1.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158957
Similarity: 0.8065
Similarity to MM158957
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM283762
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| Tanimoto metric | 0.6944 |
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| Cosine metric | 0.8198 |
| Dice metric | 0.8197 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM215171
Similarity: 0.6344
Similarity to MM215171
| Tanimoto metric | 0.6344 |
|---|---|
| Cosine metric | 0.7965 |
| Dice metric | 0.7763 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+220 more
