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DocumentationIdentifier: MM334483
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334483 |
| SMILES |
C=C(C#N)OC(C#N)=CF
|
| InChIKey |
KMDBYJUMXCLNSZ-UHFFFAOYSA-N
|
| MW [Da] |
138.1
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150561
Similarity: 0.9038
Similarity to MM150561
| Tanimoto metric | 0.9038 |
|---|---|
| Cosine metric | 0.9507 |
| Dice metric | 0.9495 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM143200
Similarity: 0.8654
Similarity to MM143200
| Tanimoto metric | 0.8654 |
|---|---|
| Cosine metric | 0.9303 |
| Dice metric | 0.9278 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM54875
Similarity: 0.7885
Similarity to MM54875
| Tanimoto metric | 0.7885 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8817 |
| MW: | 126.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+190 more
