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DocumentationIdentifier: MM38404
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM38404 |
| SMILES |
O=CC=C(C=O)CF
|
| InChIKey |
JKNJXKTVULGNQC-UHFFFAOYSA-N
|
| MW [Da] |
116.09
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM27672
Similarity: 0.8136
Similarity to MM27672
| Tanimoto metric | 0.8136 |
|---|---|
| Cosine metric | 0.902 |
| Dice metric | 0.8972 |
| MW: | 102.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116807
Similarity: 0.7879
Similarity to MM116807
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8814 |
| Dice metric | 0.8814 |
| MW: | 120.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38981
Similarity: 0.7246
Similarity to MM38981
| Tanimoto metric | 0.7246 |
|---|---|
| Cosine metric | 0.8404 |
| Dice metric | 0.8403 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+147 more
