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DocumentationIdentifier: MM223912
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223912 |
| SMILES |
CC(C)(O)C(=O)C(O)C=O
|
| InChIKey |
LJTHBEYODQGYCY-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-1.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM129895
Similarity: 0.6963
Similarity to MM129895
| Tanimoto metric | 0.6963 |
|---|---|
| Cosine metric | 0.8344 |
| Dice metric | 0.821 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160873
Similarity: 0.6667
Similarity to MM160873
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41681
Similarity: 0.5894
Similarity to MM41681
| Tanimoto metric | 0.5894 |
|---|---|
| Cosine metric | 0.7475 |
| Dice metric | 0.7417 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+120 more
