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DocumentationIdentifier: MM80784
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80784 |
| SMILES |
C#CC(=O)NC(C=O)=CF
|
| InChIKey |
ZLAFLHJRNCZHON-UHFFFAOYSA-N
|
| MW [Da] |
141.1
Automatically obtained from RDkit software. |
| LogP |
-0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM43426
Similarity: 0.7483
Similarity to MM43426
| Tanimoto metric | 0.7483 |
|---|---|
| Cosine metric | 0.865 |
| Dice metric | 0.856 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150539
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| Tanimoto metric | 0.7483 |
|---|---|
| Cosine metric | 0.865 |
| Dice metric | 0.856 |
| MW: | 131.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM43296
Similarity: 0.7273
Similarity to MM43296
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+157 more
