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DocumentationIdentifier: MM166359
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM166359 |
| SMILES |
CCNCCC(=O)CC
|
| InChIKey |
PRFXJWCWTONYHD-UHFFFAOYSA-N
|
| MW [Da] |
129.2
Automatically obtained from RDkit software. |
| LogP |
0.97
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM364495
Similarity: 0.9692
Similarity to MM364495
| Tanimoto metric | 0.9692 |
|---|---|
| Cosine metric | 0.9845 |
| Dice metric | 0.9844 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM258125
Similarity: 0.8514
Similarity to MM258125
| Tanimoto metric | 0.8514 |
|---|---|
| Cosine metric | 0.9227 |
| Dice metric | 0.9197 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM291735
Similarity: 0.8289
Similarity to MM291735
| Tanimoto metric | 0.8289 |
|---|---|
| Cosine metric | 0.9105 |
| Dice metric | 0.9065 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+276 more
