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DocumentationIdentifier: MM350741
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350741 |
| SMILES |
C=C(CCCC)C(C)C=O
|
| InChIKey |
JOXCFLPZEXXGQA-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173226
Similarity: 0.8764
Similarity to MM173226
| Tanimoto metric | 0.8764 |
|---|---|
| Cosine metric | 0.9362 |
| Dice metric | 0.9341 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351081
Similarity: 0.8041
Similarity to MM351081
| Tanimoto metric | 0.8041 |
|---|---|
| Cosine metric | 0.8916 |
| Dice metric | 0.8914 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351079
Similarity: 0.7921
Similarity to MM351079
| Tanimoto metric | 0.7921 |
|---|---|
| Cosine metric | 0.8841 |
| Dice metric | 0.884 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+456 more
