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DocumentationIdentifier: MM111042
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111042 |
| SMILES |
O=CCC(=O)C(F)(F)F
|
| InChIKey |
CFLWIVMDYUDICT-UHFFFAOYSA-N
|
| MW [Da] |
140.06
Automatically obtained from RDkit software. |
| LogP |
0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132088
Similarity: 0.6552
Similarity to MM132088
| Tanimoto metric | 0.6552 |
|---|---|
| Cosine metric | 0.7917 |
| Dice metric | 0.7917 |
| MW: | 144.07 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231352
Similarity: 0.6489
Similarity to MM231352
| Tanimoto metric | 0.6489 |
|---|---|
| Cosine metric | 0.7884 |
| Dice metric | 0.7871 |
| MW: | 158.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM129898
Similarity: 0.6444
Similarity to MM129898
| Tanimoto metric | 0.6444 |
|---|---|
| Cosine metric | 0.7839 |
| Dice metric | 0.7838 |
| MW: | 140.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+44 more
