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DocumentationIdentifier: MM213852
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM213852 |
| SMILES |
C=CCOCC=CC=O
|
| InChIKey |
KHHKPSWAOIMHHR-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126079
Similarity: 0.9348
Similarity to MM126079
| Tanimoto metric | 0.9348 |
|---|---|
| Cosine metric | 0.9668 |
| Dice metric | 0.9663 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56165
Similarity: 0.7679
Similarity to MM56165
| Tanimoto metric | 0.7679 |
|---|---|
| Cosine metric | 0.8709 |
| Dice metric | 0.8687 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28051
Similarity: 0.7609
Similarity to MM28051
| Tanimoto metric | 0.7609 |
|---|---|
| Cosine metric | 0.8723 |
| Dice metric | 0.8642 |
| MW: | 100.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+312 more
