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DocumentationIdentifier: MM48660
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM48660 |
| SMILES |
O=CCCOC(=O)CF
|
| InChIKey |
VYRBKRJLUSAQHL-UHFFFAOYSA-N
|
| MW [Da] |
134.11
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113116
Similarity: 0.8133
Similarity to MM113116
| Tanimoto metric | 0.8133 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.8971 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM48604
Similarity: 0.7176
Similarity to MM48604
| Tanimoto metric | 0.7176 |
|---|---|
| Cosine metric | 0.8359 |
| Dice metric | 0.8356 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144688
Similarity: 0.7126
Similarity to MM144688
| Tanimoto metric | 0.7126 |
|---|---|
| Cosine metric | 0.8322 |
| Dice metric | 0.8322 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+315 more
