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DocumentationIdentifier: MM160672
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160672 |
| SMILES |
C=C(C=O)C(C)C(C)=O
|
| InChIKey |
HJVRCJFISRYRCR-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.97
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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MM254134
Similarity: 0.7687
Similarity to MM254134
| Tanimoto metric | 0.7687 |
|---|---|
| Cosine metric | 0.8767 |
| Dice metric | 0.8692 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM234908
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| Tanimoto metric | 0.7518 |
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| Cosine metric | 0.8671 |
| Dice metric | 0.8583 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM350847
Similarity: 0.7464
Similarity to MM350847
| Tanimoto metric | 0.7464 |
|---|---|
| Cosine metric | 0.8639 |
| Dice metric | 0.8548 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+267 more
