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DocumentationIdentifier: MM236843
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236843 |
| SMILES |
C=C(CCCF)CC(C)=O
|
| InChIKey |
JZXWUYSPSUZACD-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156374
Similarity: 0.8
Similarity to MM156374
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263293
Similarity: 0.7767
Similarity to MM263293
| Tanimoto metric | 0.7767 |
|---|---|
| Cosine metric | 0.8765 |
| Dice metric | 0.8743 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135472
Similarity: 0.7765
Similarity to MM135472
| Tanimoto metric | 0.7765 |
|---|---|
| Cosine metric | 0.8812 |
| Dice metric | 0.8742 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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