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DocumentationIdentifier: MM376826
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376826 |
| SMILES |
N#CC(F)C(C#N)NC=O
|
| InChIKey |
CGDKJTUIQIWJQV-UHFFFAOYSA-N
|
| MW [Da] |
141.11
Automatically obtained from RDkit software. |
| LogP |
-0.51
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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MM52186
Similarity: 0.7872
Similarity to MM52186
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.8873 |
| Dice metric | 0.881 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232042
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| Tanimoto metric | 0.6328 |
|---|---|
| Cosine metric | 0.7753 |
| Dice metric | 0.7751 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM376531
Similarity: 0.6236
Similarity to MM376531
| Tanimoto metric | 0.6236 |
|---|---|
| Cosine metric | 0.7684 |
| Dice metric | 0.7682 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+36 more
