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DocumentationIdentifier: MM84994
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84994 |
| SMILES |
C=CC(O)C(=O)CCC=O
|
| InChIKey |
PRVYVWGFWHNQSO-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
MM35601
Similarity: 0.6577
Similarity to MM35601
| Tanimoto metric | 0.6577 |
|---|---|
| Cosine metric | 0.811 |
| Dice metric | 0.7935 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297472
Similarity: 0.625
Similarity to MM297472
| Tanimoto metric | 0.625 |
|---|---|
| Cosine metric | 0.7732 |
| Dice metric | 0.7692 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262808
Similarity: 0.6029
Similarity to MM262808
| Tanimoto metric | 0.6029 |
|---|---|
| Cosine metric | 0.7524 |
| Dice metric | 0.7523 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+123 more
