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DocumentationIdentifier: MM109782
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM109782 |
| SMILES |
CC(C)=CC1CN1C
|
| InChIKey |
YRCOLKFFBNUAQF-UHFFFAOYSA-N
|
| MW [Da] |
111.19
Automatically obtained from RDkit software. |
| LogP |
1.27
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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MM100491
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| Tanimoto metric | 0.7789 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8757 |
| MW: | 97.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM185048
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| Tanimoto metric | 0.7787 |
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| Cosine metric | 0.8824 |
| Dice metric | 0.8756 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.21 |
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MM185047
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Similarity to MM185047
| Tanimoto metric | 0.7724 |
|---|---|
| Cosine metric | 0.8788 |
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| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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