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DocumentationIdentifier: MM35439
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM35439 |
| SMILES |
C=CC(F)C(O)C=O
|
| InChIKey |
XJJQUPULMVLFSQ-UHFFFAOYSA-N
|
| MW [Da] |
118.11
Automatically obtained from RDkit software. |
| LogP |
0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137676
Similarity: 0.7107
Similarity to MM137676
| Tanimoto metric | 0.7107 |
|---|---|
| Cosine metric | 0.8431 |
| Dice metric | 0.8309 |
| MW: | 136.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197002
Similarity: 0.7049
Similarity to MM197002
| Tanimoto metric | 0.7049 |
|---|---|
| Cosine metric | 0.8396 |
| Dice metric | 0.8269 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355469
Similarity: 0.6719
Similarity to MM355469
| Tanimoto metric | 0.6719 |
|---|---|
| Cosine metric | 0.8197 |
| Dice metric | 0.8037 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+402 more
