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DocumentationIdentifier: MM297168
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM297168 |
| SMILES |
CC(C(=O)CCO)C(F)F
|
| InChIKey |
QECGHUHFWVDGPO-UHFFFAOYSA-N
|
| MW [Da] |
152.14
Automatically obtained from RDkit software. |
| LogP |
0.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50236
Similarity: 0.7658
Similarity to MM50236
| Tanimoto metric | 0.7658 |
|---|---|
| Cosine metric | 0.8751 |
| Dice metric | 0.8673 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM407650
Similarity: 0.6911
Similarity to MM407650
| Tanimoto metric | 0.6911 |
|---|---|
| Cosine metric | 0.8192 |
| Dice metric | 0.8173 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM407630
Similarity: 0.6159
Similarity to MM407630
| Tanimoto metric | 0.6159 |
|---|---|
| Cosine metric | 0.7623 |
| Dice metric | 0.7623 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+154 more
