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DocumentationIdentifier: MM58236
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58236 |
| SMILES |
CC(O)CC(C)(C=O)CF
|
| InChIKey |
QQKFTBTXRRUVJI-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
MM149743
Similarity: 0.7563
Similarity to MM149743
| Tanimoto metric | 0.7563 |
|---|---|
| Cosine metric | 0.8697 |
| Dice metric | 0.8612 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139336
Similarity: 0.6807
Similarity to MM139336
| Tanimoto metric | 0.6807 |
|---|---|
| Cosine metric | 0.825 |
| Dice metric | 0.81 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326612
Similarity: 0.65
Similarity to MM326612
| Tanimoto metric | 0.65 |
|---|---|
| Cosine metric | 0.7882 |
| Dice metric | 0.7879 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+219 more
