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DocumentationIdentifier: MM281008
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281008 |
| SMILES |
COCCNC(=O)C=CN
|
| InChIKey |
PXKLMLIDAFFTIW-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.78
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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MM157267
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| Tanimoto metric | 0.8646 |
|---|---|
| Cosine metric | 0.9298 |
| Dice metric | 0.9274 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8956 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.07 |
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Total active interactions
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| Tanimoto metric | 0.7064 |
|---|---|
| Cosine metric | 0.8284 |
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| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+433 more
