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DocumentationIdentifier: MM198699
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198699 |
| SMILES |
C=COCC(CO)NC
|
| InChIKey |
QXIMVAVNUNZXLT-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
-0.27
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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MM41455
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| Tanimoto metric | 0.8111 |
|---|---|
| Cosine metric | 0.9006 |
| Dice metric | 0.8957 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM404727
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| Tanimoto metric | 0.7935 |
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| Cosine metric | 0.8908 |
| Dice metric | 0.8848 |
| MW: | 149.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.02 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM112711
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| Tanimoto metric | 0.7808 |
|---|---|
| Cosine metric | 0.8836 |
| Dice metric | 0.8769 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+433 more
