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DocumentationIdentifier: MM54870
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM54870 |
| SMILES |
NC=C(C=O)OCC=O
|
| InChIKey |
MLCHZYXZIHXJCV-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 |
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MM38097
Similarity: 0.8519
Similarity to MM38097
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.923 |
| Dice metric | 0.92 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM397549
Similarity: 0.7642
Similarity to MM397549
| Tanimoto metric | 0.7642 |
|---|---|
| Cosine metric | 0.8742 |
| Dice metric | 0.8663 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44730
Similarity: 0.7228
Similarity to MM44730
| Tanimoto metric | 0.7228 |
|---|---|
| Cosine metric | 0.8411 |
| Dice metric | 0.8391 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+215 more
