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DocumentationIdentifier: MM50239
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM50239 |
| SMILES |
COCC(=O)C(C)CF
|
| InChIKey |
JZNGJNFLGPTWPM-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM350424
Similarity: 0.823
Similarity to MM350424
| Tanimoto metric | 0.823 |
|---|---|
| Cosine metric | 0.9072 |
| Dice metric | 0.9029 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33896
Similarity: 0.6882
Similarity to MM33896
| Tanimoto metric | 0.6882 |
|---|---|
| Cosine metric | 0.8296 |
| Dice metric | 0.8153 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160344
Similarity: 0.6034
Similarity to MM160344
| Tanimoto metric | 0.6034 |
|---|---|
| Cosine metric | 0.7527 |
| Dice metric | 0.7527 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+272 more
