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DocumentationIdentifier: MM114739
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM114739 |
| SMILES |
O=COC=C(F)CF
|
| InChIKey |
OHJRRGYRGLNMEY-UHFFFAOYSA-N
|
| MW [Da] |
122.07
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM97662
Similarity: 0.7273
Similarity to MM97662
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 104.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163842
Similarity: 0.6471
Similarity to MM163842
| Tanimoto metric | 0.6471 |
|---|---|
| Cosine metric | 0.8044 |
| Dice metric | 0.7857 |
| MW: | 136.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114812
Similarity: 0.6098
Similarity to MM114812
| Tanimoto metric | 0.6098 |
|---|---|
| Cosine metric | 0.7576 |
| Dice metric | 0.7576 |
| MW: | 116.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+227 more
