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DocumentationIdentifier: MM45002
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM45002 |
| SMILES |
C=COCCNC(C)=O
|
| InChIKey |
JAMVTIBAFSYSQP-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
0.28
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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MM293130
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| Tanimoto metric | 0.7889 |
|---|---|
| Cosine metric | 0.8882 |
| Dice metric | 0.882 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7717 |
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| Cosine metric | 0.8785 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.67 |
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|---|---|---|---|---|---|
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MM365199
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|---|---|
| Cosine metric | 0.8785 |
| Dice metric | 0.8712 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+337 more
