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DocumentationIdentifier: MM36077
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM36077 |
| SMILES |
CCOCC(F)CO
|
| InChIKey |
XVBGUTTUBWJIAQ-UHFFFAOYSA-N
|
| MW [Da] |
122.14
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165603
Similarity: 0.875
Similarity to MM165603
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165606
Similarity: 0.8596
Similarity to MM165606
| Tanimoto metric | 0.8596 |
|---|---|
| Cosine metric | 0.9272 |
| Dice metric | 0.9245 |
| MW: | 140.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363021
Similarity: 0.8448
Similarity to MM363021
| Tanimoto metric | 0.8448 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9159 |
| MW: | 152.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+692 more
