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DocumentationIdentifier: MM437976
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM437976 |
| SMILES |
C=CC(=COCCC)CC
|
| InChIKey |
AAFWAUWJQFPCBF-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201725
Similarity: 0.869
Similarity to MM201725
| Tanimoto metric | 0.869 |
|---|---|
| Cosine metric | 0.9322 |
| Dice metric | 0.9299 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM438706
Similarity: 0.7979
Similarity to MM438706
| Tanimoto metric | 0.7979 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8876 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM456755
Similarity: 0.785
Similarity to MM456755
| Tanimoto metric | 0.785 |
|---|---|
| Cosine metric | 0.886 |
| Dice metric | 0.8796 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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