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DocumentationIdentifier: MM325259
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325259 |
| SMILES |
CC(C=O)=CCC(=O)CO
|
| InChIKey |
AYRZKSCAZVABLH-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM49127
Similarity: 0.7419
Similarity to MM49127
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8519 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253229
Similarity: 0.6518
Similarity to MM253229
| Tanimoto metric | 0.6518 |
|---|---|
| Cosine metric | 0.7892 |
| Dice metric | 0.7892 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM325257
Similarity: 0.6389
Similarity to MM325257
| Tanimoto metric | 0.6389 |
|---|---|
| Cosine metric | 0.7807 |
| Dice metric | 0.7797 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+340 more
