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DocumentationIdentifier: MM36442
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM36442 |
| SMILES |
C=CCOC(=O)CO
|
| InChIKey |
UVIZKKLXYCUTJB-UHFFFAOYSA-N
|
| MW [Da] |
116.12
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM45938
Similarity: 0.8082
Similarity to MM45938
| Tanimoto metric | 0.8082 |
|---|---|
| Cosine metric | 0.899 |
| Dice metric | 0.8939 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355893
Similarity: 0.7468
Similarity to MM355893
| Tanimoto metric | 0.7468 |
|---|---|
| Cosine metric | 0.8642 |
| Dice metric | 0.8551 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26403
Similarity: 0.7119
Similarity to MM26403
| Tanimoto metric | 0.7119 |
|---|---|
| Cosine metric | 0.8437 |
| Dice metric | 0.8317 |
| MW: | 104.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+417 more
