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DocumentationIdentifier: MM273127
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM273127 |
| SMILES |
COCC(=CF)OC(C)=O
|
| InChIKey |
OGLNBJHRIMJNPG-UHFFFAOYSA-N
|
| MW [Da] |
148.13
Automatically obtained from RDkit software. |
| LogP |
1.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44692
Similarity: 0.8244
Similarity to MM44692
| Tanimoto metric | 0.8244 |
|---|---|
| Cosine metric | 0.908 |
| Dice metric | 0.9038 |
| MW: | 134.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM276277
Similarity: 0.6835
Similarity to MM276277
| Tanimoto metric | 0.6835 |
|---|---|
| Cosine metric | 0.8121 |
| Dice metric | 0.812 |
| MW: | 152.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104748
Similarity: 0.5802
Similarity to MM104748
| Tanimoto metric | 0.5802 |
|---|---|
| Cosine metric | 0.7617 |
| Dice metric | 0.7343 |
| MW: | 118.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+173 more
