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DocumentationIdentifier: MM457819
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM457819 |
| SMILES |
C=CCOC=CC#CC#N
|
| InChIKey |
PAPGBENUKNKQIQ-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
1.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215831
Similarity: 0.8592
Similarity to MM215831
| Tanimoto metric | 0.8592 |
|---|---|
| Cosine metric | 0.9269 |
| Dice metric | 0.9242 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215255
Similarity: 0.8028
Similarity to MM215255
| Tanimoto metric | 0.8028 |
|---|---|
| Cosine metric | 0.896 |
| Dice metric | 0.8906 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM457663
Similarity: 0.7625
Similarity to MM457663
| Tanimoto metric | 0.7625 |
|---|---|
| Cosine metric | 0.8653 |
| Dice metric | 0.8652 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+457 more
