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DocumentationIdentifier: MM276303
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM276303 |
| SMILES |
CC(=O)NC(C#N)=C(F)F
|
| InChIKey |
XOEXBNSQOUKCCO-UHFFFAOYSA-N
|
| MW [Da] |
146.1
Automatically obtained from RDkit software. |
| LogP |
0.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44712
Similarity: 0.7899
Similarity to MM44712
| Tanimoto metric | 0.7899 |
|---|---|
| Cosine metric | 0.8887 |
| Dice metric | 0.8826 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52847
Similarity: 0.7246
Similarity to MM52847
| Tanimoto metric | 0.7246 |
|---|---|
| Cosine metric | 0.8513 |
| Dice metric | 0.8403 |
| MW: | 132.07 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM134425
Similarity: 0.7101
Similarity to MM134425
| Tanimoto metric | 0.7101 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8305 |
| MW: | 135.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+111 more
