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DocumentationIdentifier: MM48518
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM48518 |
| SMILES |
N#CC(O)CCCC=O
|
| InChIKey |
BNTCNYOLOZXVTA-UHFFFAOYSA-N
|
| MW [Da] |
127.14
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM63858
Similarity: 0.7882
Similarity to MM63858
| Tanimoto metric | 0.7882 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.8816 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363841
Similarity: 0.7722
Similarity to MM363841
| Tanimoto metric | 0.7722 |
|---|---|
| Cosine metric | 0.8722 |
| Dice metric | 0.8714 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291505
Similarity: 0.7317
Similarity to MM291505
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8451 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+391 more
