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DocumentationIdentifier: MM216733
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM216733 |
| SMILES |
COCCN1CC1C#N
|
| InChIKey |
KFGMHKWLPNDKFJ-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
-0.16
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 | 0.832 |
|---|---|
| Cosine metric | 0.9121 |
| Dice metric | 0.9083 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.672 |
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| Cosine metric | 0.8198 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
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Total active interactions
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| Tanimoto metric | 0.6522 |
|---|---|
| Cosine metric | 0.7909 |
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| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+108 more
