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DocumentationIdentifier: MM198581
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198581 |
| SMILES |
OCCNC(CO)CO
|
| InChIKey |
BBDPCGFBRYRHQN-UHFFFAOYSA-N
|
| MW [Da] |
135.16
Automatically obtained from RDkit software. |
| LogP |
-2.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM325960
Similarity: 0.9259
Similarity to MM325960
| Tanimoto metric | 0.9259 |
|---|---|
| Cosine metric | 0.9623 |
| Dice metric | 0.9615 |
| MW: | 149.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60919
Similarity: 0.88
Similarity to MM60919
| Tanimoto metric | 0.88 |
|---|---|
| Cosine metric | 0.9381 |
| Dice metric | 0.9362 |
| MW: | 119.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149704
Similarity: 0.8519
Similarity to MM149704
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.92 |
| Dice metric | 0.92 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+435 more
