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DocumentationIdentifier: MM319852
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM319852 |
| SMILES |
CCC(O)C(O)(C=O)CO
|
| InChIKey |
WCRFQGDRZWMCRQ-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-1.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139891
Similarity: 0.7267
Similarity to MM139891
| Tanimoto metric | 0.7267 |
|---|---|
| Cosine metric | 0.8524 |
| Dice metric | 0.8417 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137625
Similarity: 0.72
Similarity to MM137625
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8372 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243704
Similarity: 0.7035
Similarity to MM243704
| Tanimoto metric | 0.7035 |
|---|---|
| Cosine metric | 0.8262 |
| Dice metric | 0.8259 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+181 more
