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DocumentationIdentifier: MM162690
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162690 |
| SMILES |
C=C(C)C(=O)CCC=O
|
| InChIKey |
IXYXOBSIEHYACC-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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MM63572
Similarity: 0.837
Similarity to MM63572
| Tanimoto metric | 0.837 |
|---|---|
| Cosine metric | 0.9149 |
| Dice metric | 0.9112 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM352365
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| Tanimoto metric | 0.7938 |
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| Cosine metric | 0.891 |
| Dice metric | 0.8851 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108467
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Similarity to MM108467
| Tanimoto metric | 0.7922 |
|---|---|
| Cosine metric | 0.8901 |
| Dice metric | 0.8841 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+683 more
