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DocumentationIdentifier: MM192441
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM192441 |
| SMILES |
NN=CC=C(CF)NC=O
|
| InChIKey |
VJLZEIPWZLJZQW-UHFFFAOYSA-N
|
| MW [Da] |
145.14
Automatically obtained from RDkit software. |
| LogP |
-0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197745
Similarity: 0.7288
Similarity to MM197745
| Tanimoto metric | 0.7288 |
|---|---|
| Cosine metric | 0.8537 |
| Dice metric | 0.8431 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59746
Similarity: 0.6418
Similarity to MM59746
| Tanimoto metric | 0.6418 |
|---|---|
| Cosine metric | 0.7839 |
| Dice metric | 0.7818 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361233
Similarity: 0.585
Similarity to MM361233
| Tanimoto metric | 0.585 |
|---|---|
| Cosine metric | 0.7383 |
| Dice metric | 0.7382 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+65 more
