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DocumentationIdentifier: MM410674
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM410674 |
| SMILES |
CCCOCC(=CF)OC
|
| InChIKey |
KYOKXGJQIKTGNQ-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199795
Similarity: 0.8247
Similarity to MM199795
| Tanimoto metric | 0.8247 |
|---|---|
| Cosine metric | 0.9082 |
| Dice metric | 0.904 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM341847
Similarity: 0.7257
Similarity to MM341847
| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.841 |
| Dice metric | 0.841 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM412396
Similarity: 0.7018
Similarity to MM412396
| Tanimoto metric | 0.7018 |
|---|---|
| Cosine metric | 0.8247 |
| Dice metric | 0.8247 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+334 more
