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DocumentationIdentifier: MM254676
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254676 |
| SMILES |
CC(=O)C(F)CCC(C)F
|
| InChIKey |
GHIPFBTUOAUULS-UHFFFAOYSA-N
|
| MW [Da] |
150.17
Automatically obtained from RDkit software. |
| LogP |
2.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM301667
Similarity: 0.8191
Similarity to MM301667
| Tanimoto metric | 0.8191 |
|---|---|
| Cosine metric | 0.9025 |
| Dice metric | 0.9006 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47854
Similarity: 0.8132
Similarity to MM47854
| Tanimoto metric | 0.8132 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.897 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162142
Similarity: 0.8022
Similarity to MM162142
| Tanimoto metric | 0.8022 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8902 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+331 more
