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DocumentationIdentifier: MM98480
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM98480 |
| SMILES |
CCC(O)C(N)=O
|
| InChIKey |
UUXHICUVBOTXQS-UHFFFAOYSA-N
|
| MW [Da] |
103.12
Automatically obtained from RDkit software. |
| LogP |
-0.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM108175
Similarity: 0.7945
Similarity to MM108175
| Tanimoto metric | 0.7945 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8855 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108265
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Similarity to MM108265
| Tanimoto metric | 0.7838 |
|---|---|
| Cosine metric | 0.8853 |
| Dice metric | 0.8788 |
| MW: | 117.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108176
Similarity: 0.7838
Similarity to MM108176
| Tanimoto metric | 0.7838 |
|---|---|
| Cosine metric | 0.8853 |
| Dice metric | 0.8788 |
| MW: | 119.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+564 more
