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DocumentationIdentifier: MM168895
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM168895 |
| SMILES |
C#CC(=O)CC=CC=O
|
| InChIKey |
JJKQHIKFBLOHCO-UHFFFAOYSA-N
|
| MW [Da] |
122.12
Automatically obtained from RDkit software. |
| LogP |
0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM36748
Similarity: 0.8406
Similarity to MM36748
| Tanimoto metric | 0.8406 |
|---|---|
| Cosine metric | 0.9168 |
| Dice metric | 0.9134 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168874
Similarity: 0.8
Similarity to MM168874
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8891 |
| Dice metric | 0.8889 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM374288
Similarity: 0.7595
Similarity to MM374288
| Tanimoto metric | 0.7595 |
|---|---|
| Cosine metric | 0.8633 |
| Dice metric | 0.8633 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+211 more
