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DocumentationIdentifier: MM338697
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM338697 |
| SMILES |
CCC(=O)C=C(C=O)CC
|
| InChIKey |
MRPYAAPUPZYTBK-UHFFFAOYSA-N
|
| MW [Da] |
140.18
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
MM248147
Similarity: 0.8182
Similarity to MM248147
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9 |
| Dice metric | 0.9 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM151021
Similarity: 0.7879
Similarity to MM151021
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8814 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM143727
Similarity: 0.7677
Similarity to MM143727
| Tanimoto metric | 0.7677 |
|---|---|
| Cosine metric | 0.8762 |
| Dice metric | 0.8686 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+380 more
