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DocumentationIdentifier: MM111565
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111565 |
| SMILES |
O=CC(O)C(O)CO
|
| InChIKey |
YTBSYETUWUMLBZ-UHFFFAOYSA-N
|
| MW [Da] |
120.1
Automatically obtained from RDkit software. |
| LogP |
-2.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM98431
Similarity: 0.7097
Similarity to MM98431
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8424 |
| Dice metric | 0.8302 |
| MW: | 104.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172107
Similarity: 0.7045
Similarity to MM172107
| Tanimoto metric | 0.7045 |
|---|---|
| Cosine metric | 0.8394 |
| Dice metric | 0.8267 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196888
Similarity: 0.6526
Similarity to MM196888
| Tanimoto metric | 0.6526 |
|---|---|
| Cosine metric | 0.8079 |
| Dice metric | 0.7898 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+456 more
