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DocumentationIdentifier: MM179054
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179054 |
| SMILES |
O=CC=C(CO)OC=O
|
| InChIKey |
YSUZGFPUUHIQBT-UHFFFAOYSA-N
|
| MW [Da] |
130.1
Automatically obtained from RDkit software. |
| LogP |
-0.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM38025
Similarity: 0.7419
Similarity to MM38025
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8519 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273743
Similarity: 0.7099
Similarity to MM273743
| Tanimoto metric | 0.7099 |
|---|---|
| Cosine metric | 0.8426 |
| Dice metric | 0.8304 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34296
Similarity: 0.6989
Similarity to MM34296
| Tanimoto metric | 0.6989 |
|---|---|
| Cosine metric | 0.836 |
| Dice metric | 0.8228 |
| MW: | 114.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+87 more
