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DocumentationIdentifier: MM124787
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM124787 |
| SMILES |
CC1NC1CNC=N
|
| InChIKey |
FECOYMDNTOMQKR-UHFFFAOYSA-N
|
| MW [Da] |
113.16
Automatically obtained from RDkit software. |
| LogP |
-0.46
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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MM195483
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| Tanimoto metric | 0.8482 |
|---|---|
| Cosine metric | 0.921 |
| Dice metric | 0.9179 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8788 |
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| MW: | 127.19 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
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| AI: | 0
Total active interactions
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MM216772
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| Tanimoto metric | 0.7197 |
|---|---|
| Cosine metric | 0.8483 |
| Dice metric | 0.837 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+70 more
