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DocumentationIdentifier: MM36546
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM36546 |
| SMILES |
C=C(C=O)OCC=O
|
| InChIKey |
PTDMXLPBARXJMP-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
MM98134
Similarity: 0.8491
Similarity to MM98134
| Tanimoto metric | 0.8491 |
|---|---|
| Cosine metric | 0.9214 |
| Dice metric | 0.9184 |
| MW: | 100.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43288
Similarity: 0.8413
Similarity to MM43288
| Tanimoto metric | 0.8413 |
|---|---|
| Cosine metric | 0.9172 |
| Dice metric | 0.9138 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104664
Similarity: 0.7778
Similarity to MM104664
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8763 |
| Dice metric | 0.875 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+271 more
