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DocumentationIdentifier: MM378798
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378798 |
| SMILES |
C#CC(=O)C(C=O)CCC
|
| InChIKey |
GLQCAAKEEQSWIM-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197414
Similarity: 0.789
Similarity to MM197414
| Tanimoto metric | 0.789 |
|---|---|
| Cosine metric | 0.8883 |
| Dice metric | 0.8821 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172827
Similarity: 0.7431
Similarity to MM172827
| Tanimoto metric | 0.7431 |
|---|---|
| Cosine metric | 0.862 |
| Dice metric | 0.8526 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM389354
Similarity: 0.6846
Similarity to MM389354
| Tanimoto metric | 0.6846 |
|---|---|
| Cosine metric | 0.8128 |
| Dice metric | 0.8128 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+225 more
