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DocumentationIdentifier: MM225751
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225751 |
| SMILES |
C=CC(C)(F)C(=O)C(C)C
|
| InChIKey |
SOOCRVQXJGOOSH-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM242367
Similarity: 0.7974
Similarity to MM242367
| Tanimoto metric | 0.7974 |
|---|---|
| Cosine metric | 0.8873 |
| Dice metric | 0.8873 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223915
Similarity: 0.7785
Similarity to MM223915
| Tanimoto metric | 0.7785 |
|---|---|
| Cosine metric | 0.8762 |
| Dice metric | 0.8755 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242315
Similarity: 0.7273
Similarity to MM242315
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8425 |
| Dice metric | 0.8421 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+254 more
