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DocumentationIdentifier: MM218687
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM218687 |
| SMILES |
C#CCN1C(C)C1CC
|
| InChIKey |
QZSFYRRDJSILRO-UHFFFAOYSA-N
|
| MW [Da] |
123.2
Automatically obtained from RDkit software. |
| LogP |
1.1
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 | 0.8723 |
|---|---|
| Cosine metric | 0.934 |
| Dice metric | 0.9318 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.7561 |
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| Cosine metric | 0.8695 |
| Dice metric | 0.8611 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM194738
Similarity: 0.7426
Similarity to MM194738
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.8529 |
| Dice metric | 0.8523 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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