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DocumentationIdentifier: MM262061
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262061 |
| SMILES |
C=COC(C)CC(=C)CF
|
| InChIKey |
VTESSETWLCEPLS-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142032
Similarity: 0.8136
Similarity to MM142032
| Tanimoto metric | 0.8136 |
|---|---|
| Cosine metric | 0.902 |
| Dice metric | 0.8972 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328572
Similarity: 0.6667
Similarity to MM328572
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8001 |
| Dice metric | 0.8 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79911
Similarity: 0.6358
Similarity to MM79911
| Tanimoto metric | 0.6358 |
|---|---|
| Cosine metric | 0.7781 |
| Dice metric | 0.7773 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+422 more
