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DocumentationIdentifier: MM233539
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233539 |
| SMILES |
CC=CC(F)(F)C(O)C=O
|
| InChIKey |
XQTIULMZMCHDOP-UHFFFAOYSA-N
|
| MW [Da] |
150.12
Automatically obtained from RDkit software. |
| LogP |
0.76
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: 0.7908
Similarity to MM137676
| Tanimoto metric | 0.7908 |
|---|---|
| Cosine metric | 0.8893 |
| Dice metric | 0.8832 |
| MW: | 136.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233540
Similarity: 0.6649
Similarity to MM233540
| Tanimoto metric | 0.6649 |
|---|---|
| Cosine metric | 0.7987 |
| Dice metric | 0.7987 |
| MW: | 154.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355469
Similarity: 0.6627
Similarity to MM355469
| Tanimoto metric | 0.6627 |
|---|---|
| Cosine metric | 0.8003 |
| Dice metric | 0.7972 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+103 more
