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DocumentationIdentifier: MM28580
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28580 |
| SMILES |
CC(C)(C=O)OC=O
|
| InChIKey |
MDWWHOIDIKOPHH-UHFFFAOYSA-N
|
| MW [Da] |
116.12
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM97982
Similarity: 0.7241
Similarity to MM97982
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 102.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130862
Similarity: 0.7073
Similarity to MM130862
| Tanimoto metric | 0.7073 |
|---|---|
| Cosine metric | 0.841 |
| Dice metric | 0.8286 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02030
Similarity: 0.6563
Similarity to MM02030
| Tanimoto metric | 0.6563 |
|---|---|
| Cosine metric | 0.796 |
| Dice metric | 0.7925 |
| MW: | 116.07 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+117 more
