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DocumentationIdentifier: MM420830
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420830 |
| SMILES |
CN1CC1C=CCCCN
|
| InChIKey |
STRYCCGCEOEPIW-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM195688
Similarity: 0.9417
Similarity to MM195688
| Tanimoto metric | 0.9417 |
|---|---|
| Cosine metric | 0.9704 |
| Dice metric | 0.97 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM124918
Similarity: 0.8447
Similarity to MM124918
| Tanimoto metric | 0.8447 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9158 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420836
Similarity: 0.8241
Similarity to MM420836
| Tanimoto metric | 0.8241 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9036 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+325 more
