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DocumentationIdentifier: MM361845
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM361845 |
| SMILES |
COCCC(O)C(O)CO
|
| InChIKey |
YEWUXURCECDCGI-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
MM161964
Similarity: 0.8659
Similarity to MM161964
| Tanimoto metric | 0.8659 |
|---|---|
| Cosine metric | 0.9305 |
| Dice metric | 0.9281 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292605
Similarity: 0.837
Similarity to MM292605
| Tanimoto metric | 0.837 |
|---|---|
| Cosine metric | 0.9116 |
| Dice metric | 0.9112 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300945
Similarity: 0.7474
Similarity to MM300945
| Tanimoto metric | 0.7474 |
|---|---|
| Cosine metric | 0.8555 |
| Dice metric | 0.8554 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+447 more
