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DocumentationIdentifier: MM446865
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM446865 |
| SMILES |
COCCOCCCCO
|
| InChIKey |
IKHQKYVIYAJCGS-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 |
Similar entries
MM212858
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Similarity to MM212858
| Tanimoto metric | 0.8723 |
|---|---|
| Cosine metric | 0.934 |
| Dice metric | 0.9318 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8302 |
|---|---|
| Cosine metric | 0.9077 |
| Dice metric | 0.9072 |
| MW: | 218.34 |
||||
|---|---|---|---|---|---|
| PI: | 4
Total passive interactions
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| LogP: | 2.64 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Similarity to 2-Butoxyethanol
| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8992 |
| Dice metric | 0.8941 |
| MW: | 118.18 |
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|---|---|---|---|---|---|
| PI: | 9
Total passive interactions
|
| LogP: | 0.8 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+764 more
