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DocumentationIdentifier: MM209723
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM209723 |
| SMILES |
C=CC(C)=CCN1CC1
|
| InChIKey |
JJCRLXZUPKOELA-UHFFFAOYSA-N
|
| MW [Da] |
123.2
Automatically obtained from RDkit software. |
| LogP |
1.43
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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MM456881
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| Tanimoto metric | 0.9101 |
|---|---|
| Cosine metric | 0.954 |
| Dice metric | 0.9529 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM435915
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| Tanimoto metric | 0.8617 |
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| Cosine metric | 0.9283 |
| Dice metric | 0.9257 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM456787
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Similarity to MM456787
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8783 |
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| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+151 more
