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DocumentationIdentifier: MM352762
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM352762 |
| SMILES |
CCC(O)C(C)OC=CF
|
| InChIKey |
KCCAUCVELAFMCC-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171988
Similarity: 0.7838
Similarity to MM171988
| Tanimoto metric | 0.7838 |
|---|---|
| Cosine metric | 0.8853 |
| Dice metric | 0.8788 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162828
Similarity: 0.7477
Similarity to MM162828
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8647 |
| Dice metric | 0.8557 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199462
Similarity: 0.6579
Similarity to MM199462
| Tanimoto metric | 0.6579 |
|---|---|
| Cosine metric | 0.806 |
| Dice metric | 0.7937 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+255 more
