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DocumentationIdentifier: MM383975
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383975 |
| SMILES |
C#CC=C(C=CC#N)OC
|
| InChIKey |
JEFWDXSRKKVXBI-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
MM200998
Similarity: 0.781
Similarity to MM200998
| Tanimoto metric | 0.781 |
|---|---|
| Cosine metric | 0.8837 |
| Dice metric | 0.877 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383935
Similarity: 0.7317
Similarity to MM383935
| 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
|
MM383957
Similarity: 0.6777
Similarity to MM383957
| Tanimoto metric | 0.6777 |
|---|---|
| Cosine metric | 0.8084 |
| Dice metric | 0.8079 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+109 more
