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DocumentationIdentifier: MM137846
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM137846 |
| SMILES |
C=C(C=O)C(C)(O)CC
|
| InChIKey |
JWYZEAZGGYVNJG-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM233436
Similarity: 0.7748
Similarity to MM233436
| Tanimoto metric | 0.7748 |
|---|---|
| Cosine metric | 0.8802 |
| Dice metric | 0.8731 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239113
Similarity: 0.6964
Similarity to MM239113
| Tanimoto metric | 0.6964 |
|---|---|
| Cosine metric | 0.8345 |
| Dice metric | 0.8211 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28391
Similarity: 0.6838
Similarity to MM28391
| Tanimoto metric | 0.6838 |
|---|---|
| Cosine metric | 0.8269 |
| Dice metric | 0.8122 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+412 more
