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DocumentationIdentifier: MM248445
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM248445 |
| SMILES |
CC(C)=C(C)CC(=O)CF
|
| InChIKey |
JGMYRTZMVWQNNA-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
MM143067
Similarity: 0.8519
Similarity to MM143067
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.923 |
| Dice metric | 0.92 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265798
Similarity: 0.7899
Similarity to MM265798
| Tanimoto metric | 0.7899 |
|---|---|
| Cosine metric | 0.8827 |
| Dice metric | 0.8826 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265799
Similarity: 0.748
Similarity to MM265799
| Tanimoto metric | 0.748 |
|---|---|
| Cosine metric | 0.8558 |
| Dice metric | 0.8558 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+489 more
