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DocumentationIdentifier: MM328775
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328775 |
| SMILES |
NCC(=O)OC(CN)CO
|
| InChIKey |
AQNCRBJBKFASRT-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-2.19
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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MM149959
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| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8696 |
| Dice metric | 0.8696 |
| MW: | 149.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM142080
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| Tanimoto metric | 0.7193 |
|---|---|
| Cosine metric | 0.8481 |
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| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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