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DocumentationIdentifier: MM144463
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144463 |
| SMILES |
CC(=O)OCC(O)C=O
|
| InChIKey |
JBDIBAJINGECFE-UHFFFAOYSA-N
|
| MW [Da] |
132.12
Automatically obtained from RDkit software. |
| LogP |
-0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM317597
Similarity: 0.8218
Similarity to MM317597
| Tanimoto metric | 0.8218 |
|---|---|
| Cosine metric | 0.9065 |
| Dice metric | 0.9022 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81558
Similarity: 0.7685
Similarity to MM81558
| Tanimoto metric | 0.7685 |
|---|---|
| Cosine metric | 0.8767 |
| Dice metric | 0.8691 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318234
Similarity: 0.7411
Similarity to MM318234
| Tanimoto metric | 0.7411 |
|---|---|
| Cosine metric | 0.8609 |
| Dice metric | 0.8513 |
| MW: | 142.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+146 more
