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DocumentationIdentifier: MM151021
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM151021 |
| SMILES |
CCC(C=O)=CC(C)=O
|
| InChIKey |
MRQXZDZNXFOTFD-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
1.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM338697
Similarity: 0.7879
Similarity to MM338697
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8814 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM134327
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Similarity to MM134327
| Tanimoto metric | 0.7753 |
|---|---|
| Cosine metric | 0.8735 |
| Dice metric | 0.8734 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM338877
Similarity: 0.7723
Similarity to MM338877
| Tanimoto metric | 0.7723 |
|---|---|
| Cosine metric | 0.8788 |
| Dice metric | 0.8715 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+474 more
