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DocumentationIdentifier: MM165688
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM165688 |
| SMILES |
COC(C)CCCC#N
|
| InChIKey |
DKRGXGHFJFLIRN-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
1.72
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 | 0.8312 |
|---|---|
| Cosine metric | 0.9117 |
| Dice metric | 0.9078 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8781 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.23 |
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|---|---|
| Cosine metric | 0.8665 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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