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DocumentationIdentifier: MM294819
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294819 |
| SMILES |
C=CNC(=N)C(C)C=CF
|
| InChIKey |
WBTBKBXAWBJHQY-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
1.82
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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| Tanimoto metric | 0.7953 |
|---|---|
| Cosine metric | 0.8918 |
| Dice metric | 0.886 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7638 |
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| Cosine metric | 0.8739 |
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| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
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|---|---|---|---|---|---|
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Total active interactions
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MM353556
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| Tanimoto metric | 0.7203 |
|---|---|
| Cosine metric | 0.8378 |
| Dice metric | 0.8374 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+482 more
