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DocumentationIdentifier: MM111718
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111718 |
| SMILES |
CCC(=O)C(O)CF
|
| InChIKey |
WWIITNMGPWOVOM-UHFFFAOYSA-N
|
| MW [Da] |
120.12
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172912
Similarity: 0.7708
Similarity to MM172912
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.8706 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160358
Similarity: 0.74
Similarity to MM160358
| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.8602 |
| Dice metric | 0.8506 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108344
Similarity: 0.7317
Similarity to MM108344
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.8451 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+445 more
