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DocumentationIdentifier: MM376791
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376791 |
| SMILES |
C=CCC(C=O)C(O)C=C
|
| InChIKey |
SOBFGTRSYGAKPH-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
0.92
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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MM52181
Similarity: 0.8142
Similarity to MM52181
| Tanimoto metric | 0.8142 |
|---|---|
| Cosine metric | 0.9023 |
| Dice metric | 0.8976 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349694
Similarity: 0.6867
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| Tanimoto metric | 0.6867 |
|---|---|
| Cosine metric | 0.8189 |
| Dice metric | 0.8142 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47298
Similarity: 0.6818
Similarity to MM47298
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8109 |
| Dice metric | 0.8108 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+242 more
