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DocumentationIdentifier: MM258317
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258317 |
| SMILES |
CCC(=O)CCCC(C)=O
|
| InChIKey |
XSHOQLFLPSMAGQ-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166573
Similarity: 0.9149
Similarity to MM166573
| Tanimoto metric | 0.9149 |
|---|---|
| Cosine metric | 0.9565 |
| Dice metric | 0.9556 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166333
Similarity: 0.8723
Similarity to MM166333
| Tanimoto metric | 0.8723 |
|---|---|
| Cosine metric | 0.934 |
| Dice metric | 0.9318 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291720
Similarity: 0.8723
Similarity to MM291720
| Tanimoto metric | 0.8723 |
|---|---|
| Cosine metric | 0.934 |
| Dice metric | 0.9318 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+279 more
