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DocumentationIdentifier: MM178194
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM178194 |
| SMILES |
O=COC(C=CF)CO
|
| InChIKey |
XTSHIIHJMOVBEA-UHFFFAOYSA-N
|
| MW [Da] |
134.11
Automatically obtained from RDkit software. |
| LogP | N/A |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM37592
Similarity: 0.7303
Similarity to MM37592
| Tanimoto metric | 0.7303 |
|---|---|
| Cosine metric | 0.8546 |
| Dice metric | 0.8442 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107562
Similarity: 0.7079
Similarity to MM107562
| Tanimoto metric | 0.7079 |
|---|---|
| Cosine metric | 0.8413 |
| Dice metric | 0.8289 |
| MW: | 118.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM136193
Similarity: 0.5943
Similarity to MM136193
| Tanimoto metric | 0.5943 |
|---|---|
| Cosine metric | 0.7466 |
| Dice metric | 0.7456 |
| MW: | 136.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+129 more
