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DocumentationIdentifier: MM156927
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156927 |
| SMILES |
C=CNC(=N)CC=CF
|
| InChIKey |
XVVYUDIEZLKQPS-UHFFFAOYSA-N
|
| MW [Da] |
128.15
Automatically obtained from RDkit software. |
| LogP |
1.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM357070
Similarity: 0.8614
Similarity to MM357070
| Tanimoto metric | 0.8614 |
|---|---|
| Cosine metric | 0.9281 |
| Dice metric | 0.9255 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM253287
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| Cosine metric | 0.9191 |
| Dice metric | 0.9158 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.87 |
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MM357068
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| Tanimoto metric | 0.8447 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9158 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+460 more
