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DocumentationIdentifier: MM348996
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348996 |
| SMILES |
CC(OCCF)C(=O)CO
|
| InChIKey |
XNWCTLOEWZSJAQ-UHFFFAOYSA-N
|
| MW [Da] |
150.15
Automatically obtained from RDkit software. |
| LogP |
-0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50087
Similarity: 0.8
Similarity to MM50087
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349425
Similarity: 0.7323
Similarity to MM349425
| Tanimoto metric | 0.7323 |
|---|---|
| Cosine metric | 0.8463 |
| Dice metric | 0.8455 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349532
Similarity: 0.6739
Similarity to MM349532
| Tanimoto metric | 0.6739 |
|---|---|
| Cosine metric | 0.8052 |
| Dice metric | 0.8052 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+200 more
