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DocumentationIdentifier: MM386284
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386284 |
| SMILES |
C#CC(=O)C1NC1CCC
|
| InChIKey |
DJEMOQHSKYJUFP-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM388099
Similarity: 0.8776
Similarity to MM388099
| Tanimoto metric | 0.8776 |
|---|---|
| Cosine metric | 0.9368 |
| Dice metric | 0.9348 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381666
Similarity: 0.835
Similarity to MM381666
| Tanimoto metric | 0.835 |
|---|---|
| Cosine metric | 0.9107 |
| Dice metric | 0.9101 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM395960
Similarity: 0.7296
Similarity to MM395960
| Tanimoto metric | 0.7296 |
|---|---|
| Cosine metric | 0.8542 |
| Dice metric | 0.8437 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+122 more
