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DocumentationIdentifier: MM398373
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM398373 |
| SMILES |
O=CC(C=O)OCC(=O)O
|
| InChIKey |
VNTIMNNXGKZXEM-UHFFFAOYSA-N
|
| MW [Da] |
146.1
Automatically obtained from RDkit software. |
| LogP |
-1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM54368
Similarity: 0.75
Similarity to MM54368
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317723
Similarity: 0.7234
Similarity to MM317723
| Tanimoto metric | 0.7234 |
|---|---|
| Cosine metric | 0.8411 |
| Dice metric | 0.8395 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM16411
Similarity: 0.6957
Similarity to MM16411
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.8208 |
| Dice metric | 0.8205 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+140 more
