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DocumentationIdentifier: MM363021
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM363021 |
| SMILES |
OCCCOCC(F)CO
|
| InChIKey |
GSKBILLULRMGDE-UHFFFAOYSA-N
|
| MW [Da] |
152.17
Automatically obtained from RDkit software. |
| LogP |
-0.28
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: 0.9655
Similarity to MM165603
| Tanimoto metric | 0.9655 |
|---|---|
| Cosine metric | 0.9826 |
| Dice metric | 0.9825 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44913
Similarity: 0.8966
Similarity to MM44913
| Tanimoto metric | 0.8966 |
|---|---|
| Cosine metric | 0.9469 |
| Dice metric | 0.9455 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165606
Similarity: 0.8548
Similarity to MM165606
| Tanimoto metric | 0.8548 |
|---|---|
| Cosine metric | 0.9218 |
| Dice metric | 0.9217 |
| MW: | 140.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+470 more
