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DocumentationIdentifier: MM222086
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM222086 |
| SMILES |
CC(C)(CC(=O)O)C(F)F
|
| InChIKey |
GFVUMPMTUSZRAR-UHFFFAOYSA-N
|
| MW [Da] |
152.14
Automatically obtained from RDkit software. |
| LogP |
1.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133549
Similarity: 0.7944
Similarity to MM133549
| Tanimoto metric | 0.7944 |
|---|---|
| Cosine metric | 0.8913 |
| Dice metric | 0.8854 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130729
Similarity: 0.7664
Similarity to MM130729
| Tanimoto metric | 0.7664 |
|---|---|
| Cosine metric | 0.8754 |
| Dice metric | 0.8677 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253805
Similarity: 0.6014
Similarity to MM253805
| Tanimoto metric | 0.6014 |
|---|---|
| Cosine metric | 0.7527 |
| Dice metric | 0.7511 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+185 more
