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DocumentationIdentifier: MM15745
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15745 |
| SMILES |
C=CC(C=O)OC=O
|
| InChIKey |
DRBGRYBGFVTVDE-UHFFFAOYSA-N
|
| MW [Da] |
114.1
Automatically obtained from RDkit software. |
| LogP |
-0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM97979
Similarity: 0.6515
Similarity to MM97979
| Tanimoto metric | 0.6515 |
|---|---|
| Cosine metric | 0.8072 |
| Dice metric | 0.789 |
| MW: | 100.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97982
Similarity: 0.6364
Similarity to MM97982
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.7977 |
| Dice metric | 0.7778 |
| MW: | 102.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15746
Similarity: 0.5946
Similarity to MM15746
| Tanimoto metric | 0.5946 |
|---|---|
| Cosine metric | 0.7711 |
| Dice metric | 0.7458 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+140 more
