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DocumentationIdentifier: MM348551
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348551 |
| SMILES |
O=COCC(O)C(F)C=O
|
| InChIKey |
JIWMOZYLENRCLA-UHFFFAOYSA-N
|
| MW [Da] |
150.11
Automatically obtained from RDkit software. |
| LogP |
-0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50006
Similarity: 0.8425
Similarity to MM50006
| Tanimoto metric | 0.8425 |
|---|---|
| Cosine metric | 0.9179 |
| Dice metric | 0.9145 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348549
Similarity: 0.7086
Similarity to MM348549
| Tanimoto metric | 0.7086 |
|---|---|
| Cosine metric | 0.8296 |
| Dice metric | 0.8295 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35380
Similarity: 0.6299
Similarity to MM35380
| Tanimoto metric | 0.6299 |
|---|---|
| Cosine metric | 0.7937 |
| Dice metric | 0.7729 |
| MW: | 122.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+80 more
