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DocumentationIdentifier: MM162519
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162519 |
| SMILES |
O=CCNC(=O)C(F)F
|
| InChIKey |
KKHLQUCUAMOUMU-UHFFFAOYSA-N
|
| MW [Da] |
137.09
Automatically obtained from RDkit software. |
| LogP |
-0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM108360
Similarity: 0.7975
Similarity to MM108360
| Tanimoto metric | 0.7975 |
|---|---|
| Cosine metric | 0.893 |
| Dice metric | 0.8873 |
| MW: | 123.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113211
Similarity: 0.7468
Similarity to MM113211
| Tanimoto metric | 0.7468 |
|---|---|
| Cosine metric | 0.8642 |
| Dice metric | 0.8551 |
| MW: | 119.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47966
Similarity: 0.6364
Similarity to MM47966
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.778 |
| Dice metric | 0.7778 |
| MW: | 134.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+128 more
