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DocumentationIdentifier: MM363841
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM363841 |
| SMILES |
N#CC(O)CCCCC=O
|
| InChIKey |
WWPIXBRYWJXJQL-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165921
Similarity: 0.7808
Similarity to MM165921
| Tanimoto metric | 0.7808 |
|---|---|
| Cosine metric | 0.8836 |
| Dice metric | 0.8769 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63858
Similarity: 0.7753
Similarity to MM63858
| Tanimoto metric | 0.7753 |
|---|---|
| Cosine metric | 0.8759 |
| Dice metric | 0.8734 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48518
Similarity: 0.7722
Similarity to MM48518
| Tanimoto metric | 0.7722 |
|---|---|
| Cosine metric | 0.8722 |
| Dice metric | 0.8714 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+327 more
