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DocumentationIdentifier: MM393094
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM393094 |
| SMILES |
CC(=O)C(CO)COC=O
|
| InChIKey |
KSBWEYHOFQGOQQ-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.64
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179810
Similarity: 0.7864
Similarity to MM179810
| Tanimoto metric | 0.7864 |
|---|---|
| Cosine metric | 0.8868 |
| Dice metric | 0.8804 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM392906
Similarity: 0.7203
Similarity to MM392906
| Tanimoto metric | 0.7203 |
|---|---|
| Cosine metric | 0.8375 |
| Dice metric | 0.8374 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349339
Similarity: 0.6613
Similarity to MM349339
| Tanimoto metric | 0.6613 |
|---|---|
| Cosine metric | 0.7961 |
| Dice metric | 0.7961 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+146 more
