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DocumentationIdentifier: MM274056
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274056 |
| SMILES |
CC(F)=CC(C=O)OC=O
|
| InChIKey |
YCLSEHZREPUZSM-UHFFFAOYSA-N
|
| MW [Da] |
146.12
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15746
Similarity: 0.5669
Similarity to MM15746
| Tanimoto metric | 0.5669 |
|---|---|
| Cosine metric | 0.727 |
| Dice metric | 0.7236 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273994
Similarity: 0.5632
Similarity to MM273994
| Tanimoto metric | 0.5632 |
|---|---|
| Cosine metric | 0.7206 |
| Dice metric | 0.7206 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243398
Similarity: 0.5529
Similarity to MM243398
| Tanimoto metric | 0.5529 |
|---|---|
| Cosine metric | 0.7123 |
| Dice metric | 0.7121 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+28 more
