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DocumentationIdentifier: MM28540
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28540 |
| SMILES |
CCCC(C)(O)C#N
|
| InChIKey |
DOTBWZRLSYDMSC-UHFFFAOYSA-N
|
| MW [Da] |
113.16
Automatically obtained from RDkit software. |
| LogP |
1.06
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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MM41888
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| Tanimoto metric | 0.8158 |
|---|---|
| Cosine metric | 0.9032 |
| Dice metric | 0.8986 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Dice metric | 0.8986 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.56 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM130669
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| Cosine metric | 0.9032 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.31 |
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| AI: | 0
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+551 more
