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DocumentationIdentifier: MM407242
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM407242 |
| SMILES |
C=COC(C)C(C#N)C#N
|
| InChIKey |
HNDPSVQMAVYMDQ-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
1.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM02913
Similarity: 0.78
Similarity to MM02913
| Tanimoto metric | 0.78 |
|---|---|
| Cosine metric | 0.8832 |
| Dice metric | 0.8764 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406855
Similarity: 0.6667
Similarity to MM406855
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8033 |
| Dice metric | 0.8 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94050
Similarity: 0.6617
Similarity to MM94050
| Tanimoto metric | 0.6617 |
|---|---|
| Cosine metric | 0.8 |
| Dice metric | 0.7964 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+214 more
