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DocumentationIdentifier: MM353693
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM353693 |
| SMILES |
CCN1C(C)C1CCC=O
|
| InChIKey |
QUFNNTJOLNLMCM-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM353330
Similarity: 0.8618
Similarity to MM353330
| Tanimoto metric | 0.8618 |
|---|---|
| Cosine metric | 0.9284 |
| Dice metric | 0.9258 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354781
Similarity: 0.75
Similarity to MM354781
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM343361
Similarity: 0.6856
Similarity to MM343361
| Tanimoto metric | 0.6856 |
|---|---|
| Cosine metric | 0.8155 |
| Dice metric | 0.8135 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+223 more
