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DocumentationIdentifier: MM226041
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226041 |
| SMILES |
OCC(F)CC(F)(F)CO
|
| InChIKey |
JAKOZDAIBXNRSR-UHFFFAOYSA-N
|
| MW [Da] |
158.12
Automatically obtained from RDkit software. |
| LogP |
0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM220615
Similarity: 0.9184
Similarity to MM220615
| Tanimoto metric | 0.9184 |
|---|---|
| Cosine metric | 0.9574 |
| Dice metric | 0.9574 |
| MW: | 160.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130005
Similarity: 0.8511
Similarity to MM130005
| Tanimoto metric | 0.8511 |
|---|---|
| Cosine metric | 0.9225 |
| Dice metric | 0.9195 |
| MW: | 142.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130623
Similarity: 0.6939
Similarity to MM130623
| Tanimoto metric | 0.6939 |
|---|---|
| Cosine metric | 0.8266 |
| Dice metric | 0.8193 |
| MW: | 146.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+547 more
