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DocumentationIdentifier: MM414856
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM414856 |
| SMILES |
CC(OC=O)C(=CF)CF
|
| InChIKey |
YZPGXSODEPMBFN-UHFFFAOYSA-N
|
| MW [Da] |
150.12
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172573
Similarity: 0.7211
Similarity to MM172573
| Tanimoto metric | 0.7211 |
|---|---|
| Cosine metric | 0.8492 |
| Dice metric | 0.8379 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199941
Similarity: 0.6054
Similarity to MM199941
| Tanimoto metric | 0.6054 |
|---|---|
| Cosine metric | 0.7781 |
| Dice metric | 0.7542 |
| MW: | 136.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269872
Similarity: 0.5661
Similarity to MM269872
| Tanimoto metric | 0.5661 |
|---|---|
| Cosine metric | 0.723 |
| Dice metric | 0.723 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+57 more
