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DocumentationIdentifier: MM145182
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM145182 |
| SMILES |
C=CC(=O)OCC(N)=O
|
| InChIKey |
DUQUEXKPXRQEHW-UHFFFAOYSA-N
|
| MW [Da] |
129.12
Automatically obtained from RDkit software. |
| LogP |
-0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM78763
Similarity: 0.7712
Similarity to MM78763
| Tanimoto metric | 0.7712 |
|---|---|
| Cosine metric | 0.8782 |
| Dice metric | 0.8708 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103482
Similarity: 0.7253
Similarity to MM103482
| Tanimoto metric | 0.7253 |
|---|---|
| Cosine metric | 0.8516 |
| Dice metric | 0.8408 |
| MW: | 117.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113342
Similarity: 0.6703
Similarity to MM113342
| Tanimoto metric | 0.6703 |
|---|---|
| Cosine metric | 0.8187 |
| Dice metric | 0.8026 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+255 more
