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DocumentationIdentifier: MM267938
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM267938 |
| SMILES |
CC=CC(C)=CC(O)C#N
|
| InChIKey |
RGLDGTWHBBJQKN-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143517
Similarity: 0.8317
Similarity to MM143517
| Tanimoto metric | 0.8317 |
|---|---|
| Cosine metric | 0.912 |
| Dice metric | 0.9081 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM338048
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| Tanimoto metric | 0.7568 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8615 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM349592
Similarity: 0.7228
Similarity to MM349592
| Tanimoto metric | 0.7228 |
|---|---|
| Cosine metric | 0.8502 |
| Dice metric | 0.8391 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+417 more
