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DocumentationIdentifier: MM233910
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233910 |
| SMILES |
CCOCC(C)(C)OC=O
|
| InChIKey |
DBLCGDMSVMPCHV-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.97
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM233959
Similarity: 0.73
Similarity to MM233959
| Tanimoto metric | 0.73 |
|---|---|
| Cosine metric | 0.8446 |
| Dice metric | 0.8439 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291467
Similarity: 0.6633
Similarity to MM291467
| Tanimoto metric | 0.6633 |
|---|---|
| Cosine metric | 0.8019 |
| Dice metric | 0.7975 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291630
Similarity: 0.6226
Similarity to MM291630
| Tanimoto metric | 0.6226 |
|---|---|
| Cosine metric | 0.7683 |
| Dice metric | 0.7674 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+93 more
