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DocumentationIdentifier: MM126682
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM126682 |
| SMILES |
O=CCC=CCC=O
|
| InChIKey |
ZDJQEPWXARFGAE-UHFFFAOYSA-N
|
| MW [Da] |
112.13
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM28065
Similarity: 0.9333
Similarity to MM28065
| Tanimoto metric | 0.9333 |
|---|---|
| Cosine metric | 0.9661 |
| Dice metric | 0.9655 |
| MW: | 98.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25216
Similarity: 0.8
Similarity to MM25216
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 84.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126627
Similarity: 0.7368
Similarity to MM126627
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.852 |
| Dice metric | 0.8485 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+284 more
