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DocumentationIdentifier: MM238128
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM238128 |
| SMILES |
COCCC(=O)C=C(C)C
|
| InChIKey |
JFWYHAGHZBAXGG-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.56
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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MM157252
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Similarity to MM157252
| Tanimoto metric | 0.8404 |
|---|---|
| Cosine metric | 0.9167 |
| Dice metric | 0.9133 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM41381
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| Tanimoto metric | 0.8191 |
|---|---|
| Cosine metric | 0.9051 |
| Dice metric | 0.9006 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM357586
Similarity: 0.7524
Similarity to MM357586
| Tanimoto metric | 0.7524 |
|---|---|
| Cosine metric | 0.8589 |
| Dice metric | 0.8587 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+477 more
