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DocumentationIdentifier: MM68389
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM68389 |
| SMILES |
CCOCCOCC(C)=O
|
| InChIKey |
GEYHOHRBQRTICB-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44964
Similarity: 0.9667
Similarity to MM44964
| Tanimoto metric | 0.9667 |
|---|---|
| Cosine metric | 0.9832 |
| Dice metric | 0.9831 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM105639
Similarity: 0.8333
Similarity to MM105639
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91308
Similarity: 0.716
Similarity to MM91308
| Tanimoto metric | 0.716 |
|---|---|
| Cosine metric | 0.8424 |
| Dice metric | 0.8345 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+395 more
