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DocumentationIdentifier: MM272539
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272539 |
| SMILES |
C=CC(CC(C)=O)OC=O
|
| InChIKey |
QICONJRBWFWCDI-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41031
Similarity: 0.7049
Similarity to MM41031
| Tanimoto metric | 0.7049 |
|---|---|
| Cosine metric | 0.8396 |
| Dice metric | 0.8269 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262063
Similarity: 0.5972
Similarity to MM262063
| Tanimoto metric | 0.5972 |
|---|---|
| Cosine metric | 0.7492 |
| Dice metric | 0.7478 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262064
Similarity: 0.589
Similarity to MM262064
| Tanimoto metric | 0.589 |
|---|---|
| Cosine metric | 0.7424 |
| Dice metric | 0.7414 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+19 more
