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DocumentationIdentifier: MM144810
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144810 |
| SMILES |
CCC(=O)CCC(C)=O
|
| InChIKey |
HGRGPAAXHOTBAM-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
1.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM318630
Similarity: 0.9592
Similarity to MM318630
| Tanimoto metric | 0.9592 |
|---|---|
| Cosine metric | 0.9794 |
| Dice metric | 0.9792 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113137
Similarity: 0.8085
Similarity to MM113137
| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8992 |
| Dice metric | 0.8941 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291720
Similarity: 0.7959
Similarity to MM291720
| Tanimoto metric | 0.7959 |
|---|---|
| Cosine metric | 0.8884 |
| Dice metric | 0.8864 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+101 more
