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DocumentationIdentifier: MM103482
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM103482 |
| SMILES |
CC(=O)OCC(N)=O
|
| InChIKey |
DMLYTGPBYWHKHU-UHFFFAOYSA-N
|
| MW [Da] |
117.1
Automatically obtained from RDkit software. |
| LogP |
-0.97
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145045
Similarity: 0.75
Similarity to MM145045
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 133.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145182
Similarity: 0.7253
Similarity to MM145182
| Tanimoto metric | 0.7253 |
|---|---|
| Cosine metric | 0.8516 |
| Dice metric | 0.8408 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144920
Similarity: 0.7174
Similarity to MM144920
| Tanimoto metric | 0.7174 |
|---|---|
| Cosine metric | 0.847 |
| Dice metric | 0.8354 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+34 more
