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DocumentationIdentifier: MM65549
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM65549 |
| SMILES |
CC(=CF)OC(=O)CCO
|
| InChIKey |
SDWFYZWQNXDENT-UHFFFAOYSA-N
|
| MW [Da] |
148.13
Automatically obtained from RDkit software. |
| LogP |
0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM143150
Similarity: 0.832
Similarity to MM143150
| Tanimoto metric | 0.832 |
|---|---|
| Cosine metric | 0.9121 |
| Dice metric | 0.9083 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41170
Similarity: 0.736
Similarity to MM41170
| Tanimoto metric | 0.736 |
|---|---|
| Cosine metric | 0.8579 |
| Dice metric | 0.8479 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265117
Similarity: 0.698
Similarity to MM265117
| Tanimoto metric | 0.698 |
|---|---|
| Cosine metric | 0.8222 |
| Dice metric | 0.8221 |
| MW: | 150.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+331 more
