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DocumentationIdentifier: MM420078
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420078 |
| SMILES |
COC=CCC(C#N)=CF
|
| InChIKey |
JHOMSXFIMKGYDP-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
1.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168750
Similarity: 0.7172
Similarity to MM168750
| Tanimoto metric | 0.7172 |
|---|---|
| Cosine metric | 0.8469 |
| Dice metric | 0.8353 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168926
Similarity: 0.7071
Similarity to MM168926
| Tanimoto metric | 0.7071 |
|---|---|
| Cosine metric | 0.8409 |
| Dice metric | 0.8284 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116548
Similarity: 0.6465
Similarity to MM116548
| Tanimoto metric | 0.6465 |
|---|---|
| Cosine metric | 0.804 |
| Dice metric | 0.7853 |
| MW: | 111.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+175 more
