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DocumentationIdentifier: MM225636
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225636 |
| SMILES |
CC(C)(C=O)C(O)C(N)=O
|
| InChIKey |
GXUGRBOMOCQLQV-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.94
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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Similarity to MM160245
| Tanimoto metric | 0.7842 |
|---|---|
| Cosine metric | 0.8855 |
| Dice metric | 0.879 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.6215 |
|---|---|
| Cosine metric | 0.7669 |
| Dice metric | 0.7666 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM388563
Similarity: 0.6022
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| Tanimoto metric | 0.6022 |
|---|---|
| Cosine metric | 0.7524 |
| Dice metric | 0.7517 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+145 more
