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DocumentationIdentifier: MM172119
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172119 |
| SMILES |
CCOC(C)C(F)C=O
|
| InChIKey |
POHOLWFCWSQIHY-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
0.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM02672
Similarity: 0.7885
Similarity to MM02672
| Tanimoto metric | 0.7885 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8817 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108088
Similarity: 0.6538
Similarity to MM108088
| Tanimoto metric | 0.6538 |
|---|---|
| Cosine metric | 0.8086 |
| Dice metric | 0.7907 |
| MW: | 120.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172199
Similarity: 0.6385
Similarity to MM172199
| Tanimoto metric | 0.6385 |
|---|---|
| Cosine metric | 0.7796 |
| Dice metric | 0.7793 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+272 more
