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DocumentationIdentifier: MM305827
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305827 |
| SMILES |
C=CNC=NC(C)C(C)C
|
| InChIKey |
RQXKNATVJGELCY-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.79
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 | 0.7907 |
|---|---|
| Cosine metric | 0.8892 |
| Dice metric | 0.8831 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.732 |
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| Cosine metric | 0.8455 |
| Dice metric | 0.8452 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM423630
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| Tanimoto metric | 0.7234 |
|---|---|
| Cosine metric | 0.8411 |
| Dice metric | 0.8395 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+223 more
