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DocumentationIdentifier: MM272351
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272351 |
| SMILES |
CC(=O)NC(CF)CC=O
|
| InChIKey |
HMQXCTFJKCZPOT-UHFFFAOYSA-N
|
| MW [Da] |
147.15
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM44470
Similarity: 0.7886
Similarity to MM44470
| Tanimoto metric | 0.7886 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8818 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272253
Similarity: 0.7014
Similarity to MM272253
| Tanimoto metric | 0.7014 |
|---|---|
| Cosine metric | 0.8245 |
| Dice metric | 0.8245 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328665
Similarity: 0.6972
Similarity to MM328665
| Tanimoto metric | 0.6972 |
|---|---|
| Cosine metric | 0.8218 |
| Dice metric | 0.8216 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+76 more
