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DocumentationIdentifier: MM333323
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM333323 |
| SMILES |
NCC(=CF)NC(=O)CO
|
| InChIKey |
PRQZBZMYGLWHPH-UHFFFAOYSA-N
|
| MW [Da] |
148.14
Automatically obtained from RDkit software. |
| LogP |
-1.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150413
Similarity: 0.7483
Similarity to MM150413
| Tanimoto metric | 0.7483 |
|---|---|
| Cosine metric | 0.865 |
| Dice metric | 0.856 |
| MW: | 132.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM143111
Similarity: 0.7413
Similarity to MM143111
| Tanimoto metric | 0.7413 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.8514 |
| MW: | 133.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142590
Similarity: 0.7273
Similarity to MM142590
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+199 more
