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DocumentationIdentifier: MM323659
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM323659 |
| SMILES |
CCC(=O)C#CC(=O)CC
|
| InChIKey |
YMWONGFXCYYAMV-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146161
Similarity: 0.9688
Similarity to MM146161
| Tanimoto metric | 0.9688 |
|---|---|
| Cosine metric | 0.9843 |
| Dice metric | 0.9841 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170611
Similarity: 0.875
Similarity to MM170611
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM252869
Similarity: 0.8421
Similarity to MM252869
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+244 more
