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DocumentationIdentifier: MM251167
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251167 |
| SMILES |
COCC(=O)OCC(N)=O
|
| InChIKey |
MOCKXAOUDOJGRW-UHFFFAOYSA-N
|
| MW [Da] |
147.13
Automatically obtained from RDkit software. |
| LogP |
-1.34
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: 0.8627
Similarity to MM145045
| Tanimoto metric | 0.8627 |
|---|---|
| Cosine metric | 0.9288 |
| Dice metric | 0.9263 |
| MW: | 133.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM258370
Similarity: 0.7232
Similarity to MM258370
| Tanimoto metric | 0.7232 |
|---|---|
| Cosine metric | 0.8407 |
| Dice metric | 0.8394 |
| MW: | 147.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319065
Similarity: 0.6769
Similarity to MM319065
| Tanimoto metric | 0.6769 |
|---|---|
| Cosine metric | 0.809 |
| Dice metric | 0.8073 |
| MW: | 147.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+93 more
