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DocumentationIdentifier: MM52847
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM52847 |
| SMILES |
N#CC(NC=O)=C(F)F
|
| InChIKey |
IOUYZOIPGINXMT-UHFFFAOYSA-N
|
| MW [Da] |
132.07
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM38126
Similarity: 0.76
Similarity to MM38126
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8636 |
| MW: | 114.08 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM276303
Similarity: 0.7246
Similarity to MM276303
| Tanimoto metric | 0.7246 |
|---|---|
| Cosine metric | 0.8513 |
| Dice metric | 0.8403 |
| MW: | 146.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44712
Similarity: 0.5833
Similarity to MM44712
| Tanimoto metric | 0.5833 |
|---|---|
| Cosine metric | 0.7375 |
| Dice metric | 0.7368 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+112 more
