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DocumentationIdentifier: MM301031
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301031 |
| SMILES |
CC(O)C(O)COCCO
|
| InChIKey |
QFHNZHHYMCWCAK-UHFFFAOYSA-N
|
| MW [Da] |
150.17
Automatically obtained from RDkit software. |
| LogP |
-1.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM73033
Similarity: 0.9268
Similarity to MM73033
| Tanimoto metric | 0.9268 |
|---|---|
| Cosine metric | 0.9623 |
| Dice metric | 0.962 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361941
Similarity: 0.8444
Similarity to MM361941
| Tanimoto metric | 0.8444 |
|---|---|
| Cosine metric | 0.9159 |
| Dice metric | 0.9157 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254516
Similarity: 0.7789
Similarity to MM254516
| Tanimoto metric | 0.7789 |
|---|---|
| Cosine metric | 0.8765 |
| Dice metric | 0.8757 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+491 more
