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DocumentationIdentifier: MM159615
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM159615 |
| SMILES |
C=COC(C)=CCC#N
|
| InChIKey |
ZLYFJSZARWPYBI-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
1.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM114717
Similarity: 0.8052
Similarity to MM114717
| Tanimoto metric | 0.8052 |
|---|---|
| Cosine metric | 0.8973 |
| Dice metric | 0.8921 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267521
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| Tanimoto metric | 0.7476 |
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| Cosine metric | 0.8646 |
| Dice metric | 0.8556 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM107890
Similarity: 0.7403
Similarity to MM107890
| Tanimoto metric | 0.7403 |
|---|---|
| Cosine metric | 0.8604 |
| Dice metric | 0.8507 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+314 more
