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DocumentationIdentifier: MM228117
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228117 |
| SMILES |
CC(=O)CCC(C)(C)C#N
|
| InChIKey |
PWFVILOSFJMIPY-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.91
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 | 0.8025 |
|---|---|
| Cosine metric | 0.8958 |
| Dice metric | 0.8904 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.52 |
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| AI: | 0
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.02 |
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|---|---|---|---|---|---|
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+234 more
