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DocumentationIdentifier: MM91019
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91019 |
| SMILES |
CCC(O)COCCOC
|
| InChIKey |
DDVVHCUAYLSHIH-UHFFFAOYSA-N
|
| MW [Da] |
148.2
Automatically obtained from RDkit software. |
| LogP |
0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM402171
Similarity: 0.8101
Similarity to MM402171
| Tanimoto metric | 0.8101 |
|---|---|
| Cosine metric | 0.8978 |
| Dice metric | 0.8951 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112591
Similarity: 0.7576
Similarity to MM112591
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.8704 |
| Dice metric | 0.8621 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165592
Similarity: 0.7536
Similarity to MM165592
| Tanimoto metric | 0.7536 |
|---|---|
| Cosine metric | 0.8631 |
| Dice metric | 0.8595 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+679 more
