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DocumentationIdentifier: MM166408
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM166408 |
| SMILES |
CCCOCC(=O)CC
|
| InChIKey |
RQZUOMQUAOCTBR-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
1.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113043
Similarity: 0.9032
Similarity to MM113043
| Tanimoto metric | 0.9032 |
|---|---|
| Cosine metric | 0.9504 |
| Dice metric | 0.9492 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48634
Similarity: 0.8657
Similarity to MM48634
| Tanimoto metric | 0.8657 |
|---|---|
| Cosine metric | 0.928 |
| Dice metric | 0.928 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM152670
Similarity: 0.8125
Similarity to MM152670
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8966 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+478 more
