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DocumentationIdentifier: MM320166
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM320166 |
| SMILES |
CC(C=O)(C=O)C(O)CO
|
| InChIKey |
QQENTABLIYXFBL-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-1.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41523
Similarity: 0.835
Similarity to MM41523
| Tanimoto metric | 0.835 |
|---|---|
| Cosine metric | 0.9138 |
| Dice metric | 0.9101 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42580
Similarity: 0.7379
Similarity to MM42580
| Tanimoto metric | 0.7379 |
|---|---|
| Cosine metric | 0.859 |
| Dice metric | 0.8492 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197088
Similarity: 0.7282
Similarity to MM197088
| Tanimoto metric | 0.7282 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8427 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+217 more
