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DocumentationIdentifier: MM297506
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM297506 |
| SMILES |
COCC(=O)C(C)C(C)=O
|
| InChIKey |
MGAQRJVNQRQNGL-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM350034
Similarity: 0.7213
Similarity to MM350034
| Tanimoto metric | 0.7213 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8381 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM409115
Similarity: 0.6822
Similarity to MM409115
| Tanimoto metric | 0.6822 |
|---|---|
| Cosine metric | 0.813 |
| Dice metric | 0.8111 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41139
Similarity: 0.6724
Similarity to MM41139
| Tanimoto metric | 0.6724 |
|---|---|
| Cosine metric | 0.82 |
| Dice metric | 0.8041 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+171 more
