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DocumentationIdentifier: MM132619
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM132619 |
| SMILES |
CC(O)C(C)(O)CC=O
|
| InChIKey |
RJKLRJTWLKKQSE-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM61704
Similarity: 0.8839
Similarity to MM61704
| Tanimoto metric | 0.8839 |
|---|---|
| Cosine metric | 0.9402 |
| Dice metric | 0.9384 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42168
Similarity: 0.7596
Similarity to MM42168
| Tanimoto metric | 0.7596 |
|---|---|
| Cosine metric | 0.8663 |
| Dice metric | 0.8634 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137544
Similarity: 0.7265
Similarity to MM137544
| Tanimoto metric | 0.7265 |
|---|---|
| Cosine metric | 0.8417 |
| Dice metric | 0.8416 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+356 more
