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DocumentationIdentifier: MM272216
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272216 |
| SMILES |
CCCC(CF)CC(=O)O
|
| InChIKey |
QOEICOJAMDEBPG-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM149891
Similarity: 0.7963
Similarity to MM149891
| Tanimoto metric | 0.7963 |
|---|---|
| Cosine metric | 0.8924 |
| Dice metric | 0.8866 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268444
Similarity: 0.7007
Similarity to MM268444
| Tanimoto metric | 0.7007 |
|---|---|
| Cosine metric | 0.8262 |
| Dice metric | 0.824 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135173
Similarity: 0.6667
Similarity to MM135173
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+261 more
