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DocumentationIdentifier: MM01628
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM01628 |
| SMILES |
CC(F)(C#N)C(F)C=O
|
| InChIKey |
SZHSRDIMMUIZSP-UHFFFAOYSA-N
|
| MW [Da] |
133.1
Automatically obtained from RDkit software. |
| LogP |
0.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM320244
Similarity: 0.6687
Similarity to MM320244
| Tanimoto metric | 0.6687 |
|---|---|
| Cosine metric | 0.8112 |
| Dice metric | 0.8015 |
| MW: | 144.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103290
Similarity: 0.6522
Similarity to MM103290
| Tanimoto metric | 0.6522 |
|---|---|
| Cosine metric | 0.8076 |
| Dice metric | 0.7895 |
| MW: | 119.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320242
Similarity: 0.6169
Similarity to MM320242
| Tanimoto metric | 0.6169 |
|---|---|
| Cosine metric | 0.7653 |
| Dice metric | 0.7631 |
| MW: | 147.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+85 more
