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DocumentationIdentifier: MM254445
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254445 |
| SMILES |
CC(=O)C(C)=C(F)C(N)=O
|
| InChIKey |
VOJQDVWZAWZIKT-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM248176
Similarity: 0.5505
Similarity to MM248176
| Tanimoto metric | 0.5505 |
|---|---|
| Cosine metric | 0.7137 |
| Dice metric | 0.7101 |
| MW: | 149.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297224
Similarity: 0.4498
Similarity to MM297224
| Tanimoto metric | 0.4498 |
|---|---|
| Cosine metric | 0.625 |
| Dice metric | 0.6205 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM270552
Similarity: 0.4498
Similarity to MM270552
| Tanimoto metric | 0.4498 |
|---|---|
| Cosine metric | 0.625 |
| Dice metric | 0.6205 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+3 more
