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DocumentationIdentifier: MM383935
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383935 |
| SMILES |
C#CC=CC(=CC#N)OC
|
| InChIKey |
QWQMRMJIWMJPPU-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
MM201031
Similarity: 0.7407
Similarity to MM201031
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8511 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383975
Similarity: 0.7317
Similarity to MM383975
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8451 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383868
Similarity: 0.6935
Similarity to MM383868
| Tanimoto metric | 0.6935 |
|---|---|
| Cosine metric | 0.8194 |
| Dice metric | 0.819 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+101 more
