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DocumentationIdentifier: MM412196
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM412196 |
| SMILES |
C=CCOCC(=CC)CC
|
| InChIKey |
KJHUPTLTMYOKMN-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199786
Similarity: 0.907
Similarity to MM199786
| Tanimoto metric | 0.907 |
|---|---|
| Cosine metric | 0.9524 |
| Dice metric | 0.9512 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM410417
Similarity: 0.8696
Similarity to MM410417
| Tanimoto metric | 0.8696 |
|---|---|
| Cosine metric | 0.9302 |
| Dice metric | 0.9302 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM341825
Similarity: 0.7723
Similarity to MM341825
| Tanimoto metric | 0.7723 |
|---|---|
| Cosine metric | 0.8722 |
| Dice metric | 0.8715 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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