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DocumentationIdentifier: MM84433
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84433 |
| SMILES |
CCOCC(O)C(O)CC
|
| InChIKey |
ALDJTCIKRVMSPG-UHFFFAOYSA-N
|
| MW [Da] |
148.2
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171849
Similarity: 0.7957
Similarity to MM171849
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.892 |
| Dice metric | 0.8862 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73033
Similarity: 0.7895
Similarity to MM73033
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8863 |
| Dice metric | 0.8824 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301031
Similarity: 0.74
Similarity to MM301031
| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.8526 |
| Dice metric | 0.8506 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+493 more
