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DocumentationIdentifier: MM232333
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM232333 |
| SMILES |
O=CCCCCC(F)(F)F
|
| InChIKey |
ROPVFIIARWCNCH-UHFFFAOYSA-N
|
| MW [Da] |
154.13
Automatically obtained from RDkit software. |
| LogP |
2.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM152546
Similarity: 0.8421
Similarity to MM152546
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131520
Similarity: 0.7869
Similarity to MM131520
| Tanimoto metric | 0.7869 |
|---|---|
| Cosine metric | 0.8817 |
| Dice metric | 0.8807 |
| MW: | 140.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232277
Similarity: 0.7213
Similarity to MM232277
| Tanimoto metric | 0.7213 |
|---|---|
| Cosine metric | 0.8412 |
| Dice metric | 0.8381 |
| MW: | 154.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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