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DocumentationIdentifier: MM281977
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281977 |
| SMILES |
C=COC(=C)C=CCC#N
|
| InChIKey |
MMOZLRBIBOANRL-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
2.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169879
Similarity: 0.8427
Similarity to MM169879
| Tanimoto metric | 0.8427 |
|---|---|
| Cosine metric | 0.918 |
| Dice metric | 0.9146 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281975
Similarity: 0.7172
Similarity to MM281975
| Tanimoto metric | 0.7172 |
|---|---|
| Cosine metric | 0.8362 |
| Dice metric | 0.8353 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320326
Similarity: 0.703
Similarity to MM320326
| Tanimoto metric | 0.703 |
|---|---|
| Cosine metric | 0.8261 |
| Dice metric | 0.8256 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+168 more
