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DocumentationIdentifier: MM51366
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM51366 |
| SMILES |
CC(F)=CC(=N)NCC=O
|
| InChIKey |
RMOGTKVMMMXLNL-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136219
Similarity: 0.822
Similarity to MM136219
| Tanimoto metric | 0.822 |
|---|---|
| Cosine metric | 0.9067 |
| Dice metric | 0.9023 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM238135
Similarity: 0.7313
Similarity to MM238135
| Tanimoto metric | 0.7313 |
|---|---|
| Cosine metric | 0.845 |
| Dice metric | 0.8448 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM238136
Similarity: 0.7185
Similarity to MM238136
| Tanimoto metric | 0.7185 |
|---|---|
| Cosine metric | 0.8363 |
| Dice metric | 0.8362 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+266 more
