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DocumentationIdentifier: MM226028
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226028 |
| SMILES |
CCC(F)(F)CC(C)CO
|
| InChIKey |
CRJVHCJSDWJKLP-UHFFFAOYSA-N
|
| MW [Da] |
152.18
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
MM129993
Similarity: 0.7959
Similarity to MM129993
| Tanimoto metric | 0.7959 |
|---|---|
| Cosine metric | 0.8921 |
| Dice metric | 0.8864 |
| MW: | 138.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141519
Similarity: 0.7245
Similarity to MM141519
| Tanimoto metric | 0.7245 |
|---|---|
| Cosine metric | 0.8512 |
| Dice metric | 0.8402 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79633
Similarity: 0.6729
Similarity to MM79633
| Tanimoto metric | 0.6729 |
|---|---|
| Cosine metric | 0.8081 |
| Dice metric | 0.8045 |
| MW: | 150.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+453 more
