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DocumentationIdentifier: MM305462
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305462 |
| SMILES |
C=C(C)C(CC=O)OC=O
|
| InChIKey |
UEHRUWJIFGFYID-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM83762
Similarity: 0.5949
Similarity to MM83762
| Tanimoto metric | 0.5949 |
|---|---|
| Cosine metric | 0.7461 |
| Dice metric | 0.746 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305328
Similarity: 0.5912
Similarity to MM305328
| Tanimoto metric | 0.5912 |
|---|---|
| Cosine metric | 0.7431 |
| Dice metric | 0.7431 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108284
Similarity: 0.584
Similarity to MM108284
| Tanimoto metric | 0.584 |
|---|---|
| Cosine metric | 0.7642 |
| Dice metric | 0.7374 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+23 more
