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DocumentationIdentifier: MM383095
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383095 |
| SMILES |
CN1CC1CC=CCC=O
|
| InChIKey |
SMWGCNZVVCXWNU-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM195584
Similarity: 0.8374
Similarity to MM195584
| Tanimoto metric | 0.8374 |
|---|---|
| Cosine metric | 0.9115 |
| Dice metric | 0.9115 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420120
Similarity: 0.7266
Similarity to MM420120
| Tanimoto metric | 0.7266 |
|---|---|
| Cosine metric | 0.8418 |
| Dice metric | 0.8416 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM195585
Similarity: 0.7045
Similarity to MM195585
| Tanimoto metric | 0.7045 |
|---|---|
| Cosine metric | 0.8267 |
| Dice metric | 0.8267 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+131 more
