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DocumentationIdentifier: MM114573
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM114573 |
| SMILES |
O=C(C#CCO)CO
|
| InChIKey |
DNYAAYOGYMRQLA-UHFFFAOYSA-N
|
| MW [Da] |
114.1
Automatically obtained from RDkit software. |
| LogP |
-1.46
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 | 0.807 |
|---|---|
| Cosine metric | 0.8983 |
| Dice metric | 0.8932 |
| MW: | 98.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Cosine metric | 0.8898 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.8 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM97630
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Similarity to MM97630
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
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| MW: | 98.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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