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DocumentationIdentifier: MM363572
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM363572 |
| SMILES |
CCOCCCC(C)C=O
|
| InChIKey |
QXHPXSOGILTMAT-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.64
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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MM165935
Similarity: 0.8955
Similarity to MM165935
| Tanimoto metric | 0.8955 |
|---|---|
| Cosine metric | 0.9463 |
| Dice metric | 0.9449 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM363862
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Similarity to MM363862
| Tanimoto metric | 0.7595 |
|---|---|
| Cosine metric | 0.8639 |
| Dice metric | 0.8633 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM212936
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Similarity to MM212936
| Tanimoto metric | 0.7463 |
|---|---|
| Cosine metric | 0.8639 |
| Dice metric | 0.8547 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+570 more
