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DocumentationIdentifier: MM402985
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM402985 |
| SMILES |
CCCOCC(C=O)CO
|
| InChIKey |
DEKHIGPKCYOKND-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM402987
Similarity: 0.7975
Similarity to MM402987
| Tanimoto metric | 0.7975 |
|---|---|
| Cosine metric | 0.8874 |
| Dice metric | 0.8873 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403455
Similarity: 0.7683
Similarity to MM403455
| Tanimoto metric | 0.7683 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.869 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM339970
Similarity: 0.759
Similarity to MM339970
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8637 |
| Dice metric | 0.863 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+444 more
