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DocumentationIdentifier: MM313063
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM313063 |
| SMILES |
C=CC(C=C)(C=O)OC=O
|
| InChIKey |
LSGSPTBXVUGCSN-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM243398
Similarity: 0.6507
Similarity to MM243398
| Tanimoto metric | 0.6507 |
|---|---|
| Cosine metric | 0.7904 |
| Dice metric | 0.7884 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15745
Similarity: 0.5893
Similarity to MM15745
| Tanimoto metric | 0.5893 |
|---|---|
| Cosine metric | 0.7676 |
| Dice metric | 0.7416 |
| MW: | 114.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244080
Similarity: 0.5251
Similarity to MM244080
| Tanimoto metric | 0.5251 |
|---|---|
| Cosine metric | 0.7 |
| Dice metric | 0.6886 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+13 more
