Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM146161
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM146161 |
| SMILES |
CCC(=O)C#CC(C)=O
|
| InChIKey |
UIABSJCWXBINEQ-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM323659
Similarity: 0.9688
Similarity to MM323659
| Tanimoto metric | 0.9688 |
|---|---|
| Cosine metric | 0.9843 |
| Dice metric | 0.9841 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170611
Similarity: 0.8438
Similarity to MM170611
| Tanimoto metric | 0.8438 |
|---|---|
| Cosine metric | 0.9164 |
| Dice metric | 0.9153 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37249
Similarity: 0.8387
Similarity to MM37249
| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9158 |
| Dice metric | 0.9123 |
| MW: | 110.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+244 more
