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DocumentationIdentifier: MM172365
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172365 |
| SMILES |
COCC(O)C(=O)CO
|
| InChIKey |
CUCFRLBWEWEHAO-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
-1.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM292806
Similarity: 0.8667
Similarity to MM292806
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9309 |
| Dice metric | 0.9286 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348959
Similarity: 0.8273
Similarity to MM348959
| Tanimoto metric | 0.8273 |
|---|---|
| Cosine metric | 0.9095 |
| Dice metric | 0.9055 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172937
Similarity: 0.7767
Similarity to MM172937
| Tanimoto metric | 0.7767 |
|---|---|
| Cosine metric | 0.8743 |
| Dice metric | 0.8743 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+374 more
