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DocumentationIdentifier: MM228855
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228855 |
| SMILES |
CC(C)(C=O)C(C)(F)CO
|
| InChIKey |
ARUKJKGVYDAIND-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM229805
Similarity: 0.6329
Similarity to MM229805
| Tanimoto metric | 0.6329 |
|---|---|
| Cosine metric | 0.7753 |
| Dice metric | 0.7752 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131024
Similarity: 0.6299
Similarity to MM131024
| Tanimoto metric | 0.6299 |
|---|---|
| Cosine metric | 0.7937 |
| Dice metric | 0.7729 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229771
Similarity: 0.5571
Similarity to MM229771
| Tanimoto metric | 0.5571 |
|---|---|
| Cosine metric | 0.7256 |
| Dice metric | 0.7156 |
| MW: | 150.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+224 more
