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DocumentationIdentifier: MM278494
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM278494 |
| SMILES |
C#CCC(=O)NCCC=O
|
| InChIKey |
WKSJXIVQGOKANT-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM278509
Similarity: 0.8295
Similarity to MM278509
| Tanimoto metric | 0.8295 |
|---|---|
| Cosine metric | 0.9083 |
| Dice metric | 0.9068 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166707
Similarity: 0.7529
Similarity to MM166707
| Tanimoto metric | 0.7529 |
|---|---|
| Cosine metric | 0.8677 |
| Dice metric | 0.8591 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107436
Similarity: 0.7412
Similarity to MM107436
| Tanimoto metric | 0.7412 |
|---|---|
| Cosine metric | 0.8609 |
| Dice metric | 0.8514 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+309 more
