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DocumentationIdentifier: MM446806
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM446806 |
| SMILES |
CCCOCCOCCO
|
| InChIKey |
DJCYDDALXPHSHR-UHFFFAOYSA-N
|
| MW [Da] |
148.2
Automatically obtained from RDkit software. |
| LogP |
0.42
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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MM212873
Similarity: 0.9
Similarity to MM212873
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125547
Similarity: 0.85
Similarity to MM125547
| Tanimoto metric | 0.85 |
|---|---|
| Cosine metric | 0.922 |
| Dice metric | 0.9189 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Diethylene Glycol Butyl Ether
Similarity: 0.8
Similarity to Diethylene Glycol Butyl Ether
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 218.34 |
||||
|---|---|---|---|---|---|
| PI: | 4
Total passive interactions
|
| LogP: | 2.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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