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DocumentationIdentifier: MM177937
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM177937 |
| SMILES |
O=CC(CCO)CCO
|
| InChIKey |
AARFPNIRADFHRI-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-0.43
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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| Tanimoto metric | 0.9231 |
|---|---|
| Cosine metric | 0.9608 |
| Dice metric | 0.96 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8619 |
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|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 0.22 |
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| AI: | 0
Total active interactions
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|---|---|
| Cosine metric | 0.8386 |
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| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.84 |
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| AI: | 0
Total active interactions
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+392 more
