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DocumentationIdentifier: MM225721
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225721 |
| SMILES |
CCC(C)(F)C(=O)C(C)O
|
| InChIKey |
FKCYNNSVBDXQNE-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137785
Similarity: 0.6667
Similarity to MM137785
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223880
Similarity: 0.6214
Similarity to MM223880
| Tanimoto metric | 0.6214 |
|---|---|
| Cosine metric | 0.7671 |
| Dice metric | 0.7665 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223882
Similarity: 0.6124
Similarity to MM223882
| Tanimoto metric | 0.6124 |
|---|---|
| Cosine metric | 0.76 |
| Dice metric | 0.7596 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+94 more
