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DocumentationIdentifier: MM168844
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM168844 |
| SMILES |
C=CC(=C)OC=CC#N
|
| InChIKey |
KJKGULGXZLUPPO-UHFFFAOYSA-N
|
| MW [Da] |
121.14
Automatically obtained from RDkit software. |
| LogP |
1.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM420898
Similarity: 0.766
Similarity to MM420898
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8752 |
| Dice metric | 0.8675 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113735
Similarity: 0.75
Similarity to MM113735
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106123
Similarity: 0.7361
Similarity to MM106123
| Tanimoto metric | 0.7361 |
|---|---|
| Cosine metric | 0.858 |
| Dice metric | 0.848 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+290 more
