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DocumentationIdentifier: MM251620
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251620 |
| SMILES |
CC=CC(=O)COC(C)=O
|
| InChIKey |
QMXLDIIZSBKHJJ-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
MM320008
Similarity: 0.6992
Similarity to MM320008
| Tanimoto metric | 0.6992 |
|---|---|
| Cosine metric | 0.823 |
| Dice metric | 0.823 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319705
Similarity: 0.6855
Similarity to MM319705
| Tanimoto metric | 0.6855 |
|---|---|
| Cosine metric | 0.8134 |
| Dice metric | 0.8134 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60242
Similarity: 0.6667
Similarity to MM60242
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.801 |
| Dice metric | 0.8 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+58 more
