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DocumentationIdentifier: MM386745
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386745 |
| SMILES |
CCOCC(C#N)COC
|
| InChIKey |
UPVUOZJMHAHYJZ-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.81
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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MM198836
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| Tanimoto metric | 0.9143 |
|---|---|
| Cosine metric | 0.9562 |
| Dice metric | 0.9552 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402989
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Similarity to MM402989
| Tanimoto metric | 0.8101 |
|---|---|
| Cosine metric | 0.8953 |
| Dice metric | 0.8951 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM403457
Similarity: 0.7901
Similarity to MM403457
| Tanimoto metric | 0.7901 |
|---|---|
| Cosine metric | 0.8833 |
| Dice metric | 0.8828 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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