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DocumentationIdentifier: MM447626
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM447626 |
| SMILES |
C=CC1CN1CC=CCC
|
| InChIKey |
PEHNHKLUSZPBDD-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
1.82
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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MM216984
Similarity: 0.9286
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| Tanimoto metric | 0.9286 |
|---|---|
| Cosine metric | 0.9636 |
| Dice metric | 0.963 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM441175
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Similarity to MM441175
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9528 |
| Dice metric | 0.9524 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194900
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Similarity to MM194900
| Tanimoto metric | 0.876 |
|---|---|
| Cosine metric | 0.934 |
| Dice metric | 0.9339 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+280 more
