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DocumentationIdentifier: MM196859
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM196859 |
| SMILES |
CC(C=O)C(CO)CO
|
| InChIKey |
JPDZBCISSSXCAP-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM238977
Similarity: 0.7733
Similarity to MM238977
| Tanimoto metric | 0.7733 |
|---|---|
| Cosine metric | 0.8794 |
| Dice metric | 0.8722 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197082
Similarity: 0.7164
Similarity to MM197082
| Tanimoto metric | 0.7164 |
|---|---|
| Cosine metric | 0.8348 |
| Dice metric | 0.8348 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38570
Similarity: 0.6875
Similarity to MM38570
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8171 |
| Dice metric | 0.8148 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+566 more
