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DocumentationIdentifier: MM383448
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383448 |
| SMILES |
O=CC=C(C=O)OC=CF
|
| InChIKey |
QGINHKLJXSSDNH-UHFFFAOYSA-N
|
| MW [Da] |
144.1
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52004
Similarity: 0.7981
Similarity to MM52004
| Tanimoto metric | 0.7981 |
|---|---|
| Cosine metric | 0.8934 |
| Dice metric | 0.8877 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383444
Similarity: 0.7241
Similarity to MM383444
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.8407 |
| Dice metric | 0.84 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383452
Similarity: 0.6615
Similarity to MM383452
| Tanimoto metric | 0.6615 |
|---|---|
| Cosine metric | 0.7968 |
| Dice metric | 0.7963 |
| MW: | 141.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+160 more
