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DocumentationIdentifier: MM171999
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171999 |
| SMILES |
CC(OC=O)C(F)CF
|
| InChIKey |
LUPRFAZXFBVABW-UHFFFAOYSA-N
|
| MW [Da] |
138.11
Automatically obtained from RDkit software. |
| LogP |
0.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179663
Similarity: 0.6842
Similarity to MM179663
| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.8132 |
| Dice metric | 0.8125 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306696
Similarity: 0.5909
Similarity to MM306696
| Tanimoto metric | 0.5909 |
|---|---|
| Cosine metric | 0.7437 |
| Dice metric | 0.7429 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112702
Similarity: 0.59
Similarity to MM112702
| Tanimoto metric | 0.59 |
|---|---|
| Cosine metric | 0.7681 |
| Dice metric | 0.7421 |
| MW: | 124.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+311 more
