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DocumentationIdentifier: MM379303
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379303 |
| SMILES |
C#CCC(C=CCO)=CC
|
| InChIKey |
XEDFKDYUSKZKPH-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
1.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158076
Similarity: 0.7653
Similarity to MM158076
| Tanimoto metric | 0.7653 |
|---|---|
| Cosine metric | 0.8748 |
| Dice metric | 0.8671 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178731
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Similarity to MM178731
| Tanimoto metric | 0.7653 |
|---|---|
| Cosine metric | 0.8748 |
| Dice metric | 0.8671 |
| MW: | 120.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200888
Similarity: 0.7245
Similarity to MM200888
| Tanimoto metric | 0.7245 |
|---|---|
| Cosine metric | 0.8512 |
| Dice metric | 0.8402 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+440 more
