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DocumentationIdentifier: MM239142
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239142 |
| SMILES |
C=CC(C)(C)C(C=O)=CF
|
| InChIKey |
JOJCQDCPRLMZMZ-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
2.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197957
Similarity: 0.7815
Similarity to MM197957
| Tanimoto metric | 0.7815 |
|---|---|
| Cosine metric | 0.884 |
| Dice metric | 0.8774 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM401431
Similarity: 0.7209
Similarity to MM401431
| Tanimoto metric | 0.7209 |
|---|---|
| Cosine metric | 0.84 |
| Dice metric | 0.8378 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137920
Similarity: 0.6891
Similarity to MM137920
| Tanimoto metric | 0.6891 |
|---|---|
| Cosine metric | 0.8301 |
| Dice metric | 0.8159 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+155 more
