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DocumentationIdentifier: MM430929
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM430929 |
| SMILES |
O=CC(C=O)C(=O)CO
|
| InChIKey |
DXRKPKFGWXNBKJ-UHFFFAOYSA-N
|
| MW [Da] |
130.1
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
MM111896
Similarity: 0.8986
Similarity to MM111896
| Tanimoto metric | 0.8986 |
|---|---|
| Cosine metric | 0.9479 |
| Dice metric | 0.9466 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41675
Similarity: 0.6966
Similarity to MM41675
| Tanimoto metric | 0.6966 |
|---|---|
| Cosine metric | 0.8243 |
| Dice metric | 0.8212 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM409115
Similarity: 0.6832
Similarity to MM409115
| Tanimoto metric | 0.6832 |
|---|---|
| Cosine metric | 0.8265 |
| Dice metric | 0.8118 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+35 more
