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Documentation2-Butoxyethanol
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM00024 |
| SMILES |
CCCCOCCO
|
| InChIKey |
POAOYUHQDCAZBD-UHFFFAOYSA-N
|
| MW [Da] |
118.18
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
8133
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.9268 |
|---|---|
| Cosine metric | 0.9627 |
| Dice metric | 0.962 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.23 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8261 |
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| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.19 |
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Total active interactions
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MM446865
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| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8992 |
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| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
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Total active interactions
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