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DocumentationIdentifier: MM239508
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239508 |
| SMILES |
O=CCOCC(F)(F)CO
|
| InChIKey |
REGDXMWVFXMUDP-UHFFFAOYSA-N
|
| MW [Da] |
154.11
Automatically obtained from RDkit software. |
| LogP |
-0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM131570
Similarity: 0.8202
Similarity to MM131570
| Tanimoto metric | 0.8202 |
|---|---|
| Cosine metric | 0.9057 |
| Dice metric | 0.9012 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165816
Similarity: 0.7528
Similarity to MM165816
| Tanimoto metric | 0.7528 |
|---|---|
| Cosine metric | 0.8676 |
| Dice metric | 0.859 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239328
Similarity: 0.7041
Similarity to MM239328
| Tanimoto metric | 0.7041 |
|---|---|
| Cosine metric | 0.8281 |
| Dice metric | 0.8263 |
| MW: | 154.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+186 more
