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DocumentationIdentifier: MM259251
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM259251 |
| SMILES |
C#CC(=O)NC=CC(F)F
|
| InChIKey |
ZUZCZGJXKIZPIF-UHFFFAOYSA-N
|
| MW [Da] |
145.11
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM49304
Similarity: 0.8586
Similarity to MM49304
| Tanimoto metric | 0.8586 |
|---|---|
| Cosine metric | 0.9266 |
| Dice metric | 0.9239 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133207
Similarity: 0.7576
Similarity to MM133207
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.8704 |
| Dice metric | 0.8621 |
| MW: | 135.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79589
Similarity: 0.696
Similarity to MM79589
| Tanimoto metric | 0.696 |
|---|---|
| Cosine metric | 0.8226 |
| Dice metric | 0.8208 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+210 more
