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DocumentationIdentifier: MM113209
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113209 |
| SMILES |
O=CCNC(=O)CO
|
| InChIKey |
JRJCQNKCWDHUBJ-UHFFFAOYSA-N
|
| MW [Da] |
117.1
Automatically obtained from RDkit software. |
| LogP |
-1.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM26385
Similarity: 0.7667
Similarity to MM26385
| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8756 |
| Dice metric | 0.8679 |
| MW: | 103.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM341941
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Similarity to MM341941
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 133.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144951
Similarity: 0.7059
Similarity to MM144951
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8276 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+346 more
