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DocumentationIdentifier: MM198582
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198582 |
| SMILES |
CCCOC(CC)CC
|
| InChIKey |
WAXRRCGSZKTGDT-UHFFFAOYSA-N
|
| MW [Da] |
130.23
Automatically obtained from RDkit software. |
| LogP |
2.6
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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MM325964
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| Tanimoto metric | 0.9231 |
|---|---|
| Cosine metric | 0.9608 |
| Dice metric | 0.96 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM115936
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| Cosine metric | 0.9354 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.21 |
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Total active interactions
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MM402244
Similarity: 0.8727
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| Tanimoto metric | 0.8727 |
|---|---|
| Cosine metric | 0.9342 |
| Dice metric | 0.932 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+827 more
