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DocumentationIdentifier: MM65052
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM65052 |
| SMILES |
C=C(CO)CC(=O)CC=O
|
| InChIKey |
NIBWFCLARLQKLU-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
MM65003
Similarity: 0.7521
Similarity to MM65003
| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.859 |
| Dice metric | 0.8585 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65051
Similarity: 0.7458
Similarity to MM65051
| Tanimoto metric | 0.7458 |
|---|---|
| Cosine metric | 0.8547 |
| Dice metric | 0.8544 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM16038
Similarity: 0.7075
Similarity to MM16038
| Tanimoto metric | 0.7075 |
|---|---|
| Cosine metric | 0.8412 |
| Dice metric | 0.8287 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+274 more
