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DocumentationIdentifier: MM456881
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM456881 |
| SMILES |
C=CC(C=C)=CCN1CC1
|
| InChIKey |
JVWJBAZWQIKTRH-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
1.6
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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MM209723
Similarity: 0.9101
Similarity to MM209723
| Tanimoto metric | 0.9101 |
|---|---|
| Cosine metric | 0.954 |
| Dice metric | 0.9529 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM435915
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Similarity to MM435915
| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8856 |
| Dice metric | 0.8852 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM456787
Similarity: 0.7168
Similarity to MM456787
| Tanimoto metric | 0.7168 |
|---|---|
| Cosine metric | 0.8379 |
| Dice metric | 0.8351 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+100 more
