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DocumentationIdentifier: MM313465
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM313465 |
| SMILES |
CC(O)C(C=O)(CO)CO
|
| InChIKey |
BFLQFEWZGKLNGX-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-1.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM313542
Similarity: 0.7857
Similarity to MM313542
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8807 |
| Dice metric | 0.88 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53051
Similarity: 0.7188
Similarity to MM53051
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8364 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61733
Similarity: 0.6718
Similarity to MM61733
| Tanimoto metric | 0.6718 |
|---|---|
| Cosine metric | 0.8098 |
| Dice metric | 0.8037 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+323 more
