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DocumentationIdentifier: MM41139
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM41139 |
| SMILES |
COCC(=O)CC(C)=O
|
| InChIKey |
RZCMFVQMQKCVEN-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM236970
Similarity: 0.8041
Similarity to MM236970
| Tanimoto metric | 0.8041 |
|---|---|
| Cosine metric | 0.8967 |
| Dice metric | 0.8914 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107311
Similarity: 0.7436
Similarity to MM107311
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.8623 |
| Dice metric | 0.8529 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15982
Similarity: 0.729
Similarity to MM15982
| Tanimoto metric | 0.729 |
|---|---|
| Cosine metric | 0.8538 |
| Dice metric | 0.8432 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+165 more
