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DocumentationIdentifier: MM384148
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM384148 |
| SMILES |
C=CC=C(C#N)C=CC#N
|
| InChIKey |
RYTCAFDKEQRIDN-UHFFFAOYSA-N
|
| MW [Da] |
130.15
Automatically obtained from RDkit software. |
| LogP |
1.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM387484
Similarity: 0.8667
Similarity to MM387484
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9288 |
| Dice metric | 0.9286 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201084
Similarity: 0.814
Similarity to MM201084
| Tanimoto metric | 0.814 |
|---|---|
| Cosine metric | 0.9022 |
| Dice metric | 0.8974 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM202070
Similarity: 0.75
Similarity to MM202070
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8631 |
| Dice metric | 0.8571 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+116 more
