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DocumentationIdentifier: MM336574
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM336574 |
| SMILES |
C=CC(C)=CC(C#N)=CC
|
| InChIKey |
BEYOIVIWZJZSMS-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
2.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM268033
Similarity: 0.802
Similarity to MM268033
| Tanimoto metric | 0.802 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8901 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM143818
Similarity: 0.7849
Similarity to MM143818
| Tanimoto metric | 0.7849 |
|---|---|
| Cosine metric | 0.886 |
| Dice metric | 0.8795 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274267
Similarity: 0.7822
Similarity to MM274267
| Tanimoto metric | 0.7822 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.8778 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+452 more
