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DocumentationIdentifier: MM43960
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM43960 |
| SMILES |
CC(=O)C1CN1
|
| InChIKey |
RJIYMPFFAZHLOU-UHFFFAOYSA-N
|
| MW [Da] |
85.11
Automatically obtained from RDkit software. |
| LogP |
-0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM398855
Similarity: 0.7342
Similarity to MM398855
| Tanimoto metric | 0.7342 |
|---|---|
| Cosine metric | 0.8568 |
| Dice metric | 0.8467 |
| MW: | 99.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM397158
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| Tanimoto metric | 0.6444 |
|---|---|
| Cosine metric | 0.8028 |
| Dice metric | 0.7838 |
| MW: | 97.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM460537
Similarity: 0.6444
Similarity to MM460537
| Tanimoto metric | 0.6444 |
|---|---|
| Cosine metric | 0.8028 |
| Dice metric | 0.7838 |
| MW: | 101.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+56 more
