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DocumentationIdentifier: MM171788
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171788 |
| SMILES |
OCCC(O)C(O)CO
|
| InChIKey |
ZDAWZDFBPUUDAY-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
-1.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM348245
Similarity: 0.8806
Similarity to MM348245
| Tanimoto metric | 0.8806 |
|---|---|
| Cosine metric | 0.9384 |
| Dice metric | 0.9365 |
| MW: | 152.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34346
Similarity: 0.8475
Similarity to MM34346
| Tanimoto metric | 0.8475 |
|---|---|
| Cosine metric | 0.9206 |
| Dice metric | 0.9174 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159950
Similarity: 0.8358
Similarity to MM159950
| Tanimoto metric | 0.8358 |
|---|---|
| Cosine metric | 0.9113 |
| Dice metric | 0.9106 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+511 more
