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DocumentationIdentifier: MM107303
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM107303 |
| SMILES |
CCCC(=O)CCC
|
| InChIKey |
HCFAJYNVAYBARA-UHFFFAOYSA-N
|
| MW [Da] |
114.19
Automatically obtained from RDkit software. |
| LogP |
2.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM112996
Similarity: 0.9143
Similarity to MM112996
| Tanimoto metric | 0.9143 |
|---|---|
| Cosine metric | 0.9562 |
| Dice metric | 0.9552 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 4
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26347
Similarity: 0.875
Similarity to MM26347
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 100.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156084
Similarity: 0.8649
Similarity to MM156084
| Tanimoto metric | 0.8649 |
|---|---|
| Cosine metric | 0.93 |
| Dice metric | 0.9275 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+341 more
