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DocumentationIdentifier: MM112871
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM112871 |
| SMILES |
O=CNCC(O)C=O
|
| InChIKey |
UKGUUXGMYDOHII-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
MM198952
Similarity: 0.7273
Similarity to MM198952
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141851
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| Tanimoto metric | 0.7111 |
|---|---|
| Cosine metric | 0.8433 |
| Dice metric | 0.8312 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM97325
Similarity: 0.6875
Similarity to MM97325
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8292 |
| Dice metric | 0.8148 |
| MW: | 103.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+142 more
