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DocumentationIdentifier: MM419422
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM419422 |
| SMILES |
CC1NC1C(=O)C=CN
|
| InChIKey |
BIQBQLYSZHBQQS-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
-0.61
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 | 0.8491 |
|---|---|
| Cosine metric | 0.9214 |
| Dice metric | 0.9184 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
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Total active interactions
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|---|---|
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+39 more
