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DocumentationIdentifier: MM149854
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM149854 |
| SMILES |
N#CCC(=O)CNCCF
|
| InChIKey |
DZDIGFAAMYPRJL-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM152540
Similarity: 0.7573
Similarity to MM152540
| Tanimoto metric | 0.7573 |
|---|---|
| Cosine metric | 0.8635 |
| Dice metric | 0.8619 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41231
Similarity: 0.5833
Similarity to MM41231
| Tanimoto metric | 0.5833 |
|---|---|
| Cosine metric | 0.7638 |
| Dice metric | 0.7368 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28465
Similarity: 0.5766
Similarity to MM28465
| Tanimoto metric | 0.5766 |
|---|---|
| Cosine metric | 0.7349 |
| Dice metric | 0.7314 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+79 more
