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DocumentationIdentifier: MM354365
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM354365 |
| SMILES |
CC(C=O)=C(C)C(O)C#N
|
| InChIKey |
QBUVLZQDWTZJIY-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51047
Similarity: 0.7647
Similarity to MM51047
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47784
Similarity: 0.7206
Similarity to MM47784
| Tanimoto metric | 0.7206 |
|---|---|
| Cosine metric | 0.8489 |
| Dice metric | 0.8376 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47735
Similarity: 0.7132
Similarity to MM47735
| Tanimoto metric | 0.7132 |
|---|---|
| Cosine metric | 0.8445 |
| Dice metric | 0.8326 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+210 more
